SCHEMBL84746

SCHEMBL84746

Cc1cnn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHB3 P54753 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLF5 Q13887 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RIPK2 O43353 1/20 0.40

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
SCHEMBL2991851 0.81 NPC1 (0.42) NPC1RAB9ADRD4DRD3LMNA
SCHEMBL30645127 0.79 NPC1 (0.38) NPC1RAB9ADRD4DRD3LMNA
SCHEMBL12875638 0.78 EGFR (0.41) NPC1RAB9ADRD4DRD3LMNA
SCHEMBL5019489 0.76 MAP4K4 (0.44) NPC1RAB9ADRD4DRD3LMNA
SCHEMBL22995014 0.74 EPHB3 (0.50) NPC1RAB9ADRD4DRD3HTT
SCHEMBL19114977 0.74 DRD3 (0.42) NPC1RAB9ADRD4DRD3DYRK1A
SCHEMBL73454 0.74 AXL (0.47) NPC1RAB9ADRD4DRD3DYRK1A
SCHEMBL4285576 0.74 CCNK (0.43) NPC1RAB9ADRD4DRD3DYRK1A
SCHEMBL12456009 0.74 DRD3 (0.42) NPC1RAB9ADRD4DRD3DYRK1A
SCHEMBL3485186 0.74 DRD3 (0.47) NPC1RAB9ADRD4DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024124002-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024123966-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS THIRD HARMONIC BIO, INC. (US) 2024-06-13 WO disclosed
WO-2024118488-A1 2-PHENYLMORPHOLINE AND 2-PHENYL(THIO)MORPHOLINE COMPOUNDS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-06-06 WO disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B NPC1 3115/4885RAB9A 3974/4885DRD4 2614/4885
US-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 NPC1 3917/4885RAB9A 3350/4885DRD4 2172/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH NPC1 212/4885RAB9A 1784/4885DRD4 1036/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 NPC1 354/4885RAB9A 2937/4885DRD4 4878/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 NPC1 2920/4885RAB9A 4363/4885DRD4 4413/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 NPC1 1220/4885RAB9A 4050/4885DRD4 4875/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 NPC1 536/4885RAB9A 2170/4885DRD4 4855/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD NPC1 4433/4885RAB9A 660/4885DRD4 1617/4885

“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.