SCHEMBL4857909

SCHEMBL4857909

Cc1cc(C)c2c(N)n[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
IDO1 P14902 1/20 0.44
AURKA O14965 2/20 0.40
ROCK1 Q13464 2/20 0.40
AURKB Q96GD4 2/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
KDM4E B2RXH2 8/20 0.39
MAPT P10636 3/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PRKACA P17612 2/20 0.37
LIMK1 P53667 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24348510 0.80 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL16680860 0.78 HSP90AA1 (0.42) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL12057784 0.76 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL13329255 0.75 MAPT (0.49) ALDH1A1KMT2AMEN1AURKAAURKB
SCHEMBL2818625 0.75 KDR (0.48) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL13329259 0.74 PRKDC (0.42) SMN1; SMN2CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13329263 0.71 HSP90AA1 (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL6087199 0.71 CYP1A2 (0.33) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL14784887 0.69 CHRM4 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1AURKA
SCHEMBL11280071 0.69 MAPT (0.51) SMN1; SMN2CYP1A2CYP2D6CYP2C19CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-06-02 US disclosed
EP-3066100-B1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma AG (DE) 2019-04-17 EP disclosed
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-06 US disclosed
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-16 US disclosed
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-9598417-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-21 US disclosed
EP-3066100-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067549-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 US disclosed
EP-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 EP disclosed
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 WO disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
US-4366231-A Photographic material containing a stabilizer, a process for its production, a development process, new pyrazoles, a process for their production and intermediate products AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180344739-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 SMN1; SMN2 2212/4885CYP1A2 407/4885CYP2D6 1062/4885
US-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB SMN1; SMN2 3812/4885CYP1A2 3354/4885CYP2D6 4318/4885
US-10668071-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 SMN1; SMN2 2212/4885CYP1A2 407/4885CYP2D6 1062/4885
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4322/4885CYP1A2 3842/4885CYP2D6 3926/4885
US-20150126449-A1 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 SMN1; SMN2 2212/4885CYP1A2 407/4885CYP2D6 1062/4885
US-20170239251-A1 (AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AND THEIR USE SERPINB6, SERPINC1, SERPINE1 SMN1; SMN2 2212/4885CYP1A2 407/4885CYP2D6 1062/4885
US-10098883-B2 (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use SERPINB6, SERPINC1, SERPINE1 SMN1; SMN2 2212/4885CYP1A2 407/4885CYP2D6 1062/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 SMN1; SMN2 4322/4885CYP1A2 3842/4885CYP2D6 3926/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.