SCHEMBL2451981

SCHEMBL2451981

Cc1ccccc1Nc1ccc2c(cnn2CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.46
ERBB2 P04626 9/20 0.44
EGFR P00533 7/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KMT2A Q03164 3/20 0.41
MCHR2 Q969V1 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NR3C1 P04150 1/20 0.39
NOTUM Q6P988 2/20 0.39
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL5071810 0.82 HTR2A (0.41) MAPK10ERBB2EGFRHTR2AHTR2C
SCHEMBL2451986 0.82 HTR2A (0.46) ERBB2EGFRHTR2AHTR2CMCHR2
SCHEMBL2446592 0.79 HTR2A (0.55) MAPK10ERBB2EGFRHTR2AHTR2C
SCHEMBL2446138 0.79 KMO (0.43) MAPK10ERBB2EGFRHTR2AHTR2C
SCHEMBL2452038 0.79 HTR2A (0.58) ERBB2EGFRHTR2AHTR2C
SCHEMBL5173258 0.72 GAA (0.45) HTR2AHTR2CKMT2AMCHR2MCHR1
SCHEMBL8888398 0.72 RECQL (0.56) HTR2AHTR2CKMT2AMEN1CYP1A2
SCHEMBL30259947 0.72 RECQL (0.56) HTR2AHTR2CKMT2AMEN1CYP1A2
SCHEMBL2445871 0.71 HTR2A (0.43) HTR2AHTR2CMCHR1ALDH1A1NR3C1
SCHEMBL2440808 0.71 ALDH1A1 (0.51) HTR2AHTR2CKMT2AMCHR2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US claimed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
CN-101759645-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2010-06-30 CN claimed
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US claimed
EP-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 EP claimed
CN-101759645-B P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-06-25 CN disclosed
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 US disclosed
US-7799782-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-21 US disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors Array Biopharma Inc. (US) 2008-12-03 EP disclosed
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US disclosed
CN-1784396-A p38 inhibitors and methods of their use ARRAY BIOPHARMA INC (US) 2006-06-07 CN disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 US disclosed
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections ARRAY BIOPHARMA INC. 2004-09-09 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 (4 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-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPK10 29/4885ERBB2 1258/4885EGFR 2965/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 MAPK10 51/4885ERBB2 984/4885EGFR 1903/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MAPK10 24/4885ERBB2 783/4885EGFR 2342/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MAPK10 24/4885ERBB2 783/4885EGFR 2342/4885

“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.