SCHEMBL188416

SCHEMBL188416

[c]1ccc(C2CCCCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA7 P36544 2/20 0.51
CHRNA4 P43681 2/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
AURKA O14965 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
CHRM5 P08912 5/20 0.38
CHRM3 P20309 5/20 0.38
CHRM2 P08172 5/20 0.38
CHRM1 P11229 4/20 0.38
CHRM4 P08173 4/20 0.38

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
SCHEMBL27564375 1.00 MEN1 (0.51) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL28451135 0.98 MEN1 (0.50) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL1031980 0.94 CHRNB2 (0.50) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL1030421 0.94 CHRNB2 (0.50) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL1030220 0.94 CHRNB2 (0.50) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2096477 0.79 CHRNB2 (0.56) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL938781 0.79 MEN1 (0.65) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL940085 0.79 MEN1 (0.65) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL938780 0.79 MEN1 (0.65) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7673446 0.78 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
CN-101861311-A 5-pyridone substituted indazoles AMR TECHNOLOGY INC 2010-10-13 CN disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2176251-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2010-04-21 EP disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 WO disclosed
CN-100358888-C Novel guanidine mimics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2008-01-02 CN disclosed
EP-0993448-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-19 EP disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057934-A1 (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO 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 (2 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-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 MEN1 883/4885CYP2D6 26/4885CYP2C19 41/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MEN1 3601/4885CYP2D6 1209/4885CYP2C19 1343/4885

“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.