SCHEMBL9911757

SCHEMBL9911757

Cc1cnn(C)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
BRD4 O60885 1/20 0.46
HIF1A Q16665 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CREBBP Q92793 1/20 0.40
PDE2A O00408 3/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BLM P54132 1/20 0.38
HPGD P15428 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 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
SCHEMBL14996666 0.83 PDE2A (0.41) BRD4HIF1ANPC1RAB9ACREBBP
SCHEMBL30230959 0.81 CYP11B2 (0.50) BRD4HIF1AMAPTKDM4EALDH1A1
SCHEMBL10508644 0.81 HIF1A (0.53) PTGS2BRD4HIF1ANPC1RAB9A
SCHEMBL27037461 0.80 PDE2A (0.43) BRD4NPC1RAB9ACREBBPPDE2A
SCHEMBL21051439 0.80 NPC1 (0.42) BRD4NPC1RAB9ACREBBPMAPT
SCHEMBL12856337 0.80 PDE2A (0.43) BRD4NPC1RAB9ANR1H2NR1H3
SCHEMBL31306342 0.80 ALDH1A1 (0.41) PTGS2BRD4HIF1ANPC1RAB9A
SCHEMBL30663495 0.78 BRD4 (0.49) BRD4NPC1RAB9AMAPTKDM4E
SCHEMBL23402261 0.78 HIF1A (0.42) HIF1ANPC1RAB9ANR1H2NR1H3
SCHEMBL3562130 0.78 HTR2A (0.47) HIF1AAKT1NPC1RAB9ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584259-A1 CK1ALPHA AND DUAL CK1ALPHA / GSPT1 DEGRADING COMPOUNDS Innovo Therapeutics, Inc. (US) 2025-07-16 EP disclosed
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024054832-A1 CK1α AND DUAL CK1α / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 WO disclosed
WO-2007101347-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2007-09-13 WO disclosed
WO-2007048224-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2007-05-03 WO disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 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 (9 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PTGS2 1588/4885BRD4 165/4885HIF1A 924/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PTGS2 3826/4885BRD4 431/4885HIF1A 4087/4885
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 PTGS2 2438/4885BRD4 32/4885HIF1A 3998/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX PTGS2 3438/4885BRD4 1212/4885HIF1A 3875/4885
US-20140336134-A1 IAP BIR Domain Binding Compounds BIRC2, BIRC7, BIRC5 PTGS2 3762/4885BRD4 246/4885HIF1A 3618/4885
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS CKS1B, CKS2, MARK1 PTGS2 2296/4885BRD4 776/4885HIF1A 686/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 PTGS2 3813/4885BRD4 520/4885HIF1A 4260/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 PTGS2 3176/4885BRD4 1064/4885HIF1A 3676/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX PTGS2 3036/4885BRD4 1115/4885HIF1A 4032/4885

“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.