SCHEMBL2948427

SCHEMBL2948427

Cc1ccc(C(=O)NC2CC2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.58
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 4/20 0.54
MAPK11 Q15759 3/20 0.53
HSPB1 P04792 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CNR2 P34972 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL22468509 0.94 RAB9A (0.58) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10282601 0.86 GLA (0.64) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL25548 0.83 MAPK14 (0.58) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16608032 0.83 MAPK14 (0.49) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL18063196 0.83 MAPK14 (0.49) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1518156 0.83 KMT2A (0.56) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22490073 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL22490317 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL22490072 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL16600544 0.83 RAB9A (0.56) MAPK14NPC1RAB9ASMN1; SMN2HPGD

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
WO-2022066917-A1 3-(6-AMINOPYRIDIN-3-YL)BENZAMIDE DERIVATIVES AS RIPK2 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-31 WO disclosed
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
WO-2020198053-A1 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-01 WO disclosed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 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 (3 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 MAPK14 293/4885NPC1 4272/4885RAB9A 3386/4885
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 MAPK14 2691/4885NPC1 824/4885RAB9A 3029/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 MAPK14 4449/4885NPC1 2801/4885RAB9A 1866/4885

“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.