SCHEMBL1995692

SCHEMBL1995692

Fc1cccc2nc(Cl)nc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.42
ACHE P22303 3/20 0.39
ELANE P08246 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSMB8 P28062 1/20 0.33

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
SCHEMBL29909242 1.00 PARP1 (0.42) PARP1ACHEELANETDP1NPC1
SCHEMBL26697710 0.81 PARP1 (0.40) PARP1ACHEELANETDP1NPC1
SCHEMBL21497074 0.81 ACHE (0.44) PARP1ACHEELANEHSP90AB1CYP1A2
SCHEMBL14842829 0.81 PARP1 (0.47) PARP1ACHEELANETDP1CYP1A2
SCHEMBL26679775 0.81 CYP1A2 (0.43) PARP1ACHEELANENPC1RAB9A
SCHEMBL14842795 0.81 PARP1 (0.47) PARP1ACHEELANEHSP90AB1TNKS
SCHEMBL3337344 0.79 PARP1 (0.44) PARP1ACHEELANETDP1PSMB8
SCHEMBL30013654 0.79 PARP1 (0.44) PARP1ACHEELANETDP1PSMB8
SCHEMBL3107616 0.78 KMT2A (0.39) PARP1ACHEELANETDP1NPC1
SCHEMBL10924247 0.77 ACHE (0.38) PARP1ACHEELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2025-11-27 US disclosed
WO-2025096494-A1 UBIQUITIN SPECIFIC PROCESSING PROTEASE 1 (USP1) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed
US-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2024-12-05 US disclosed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-B1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES INC (JP) 2024-09-18 EP disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 US disclosed
US-7713985-B2 Adenosine Aa2 receptor antagonists SCHERING CORPORATION (US) 2010-05-11 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
EP-2038285-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-02-17 EP disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 US disclosed
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2008-10-16 US disclosed
WO-2008002596-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2008-01-03 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-20240400568-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PARP1 1520/4885ACHE 4227/4885ELANE 4267/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PARP1 387/4885ACHE 3329/4885ELANE 232/4885
US-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK PARP1 1520/4885ACHE 4227/4885ELANE 4267/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PARP1 1163/4885ACHE 4127/4885ELANE 2366/4885
US-20080255156-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA1 PARP1 1571/4885ACHE 349/4885ELANE 3298/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A PARP1 3505/4885ACHE 4702/4885ELANE 4469/4885
US-20250361236-A9 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PARP1 1520/4885ACHE 4227/4885ELANE 4267/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A PARP1 3505/4885ACHE 4702/4885ELANE 4469/4885

“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.