SCHEMBL411222

SCHEMBL411222

c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2-n2cccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10281195 0.83 MAPK1 (0.42) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL409808 0.77 CA1 (0.41) CA1CA2CCNA2CDK2HTR2A
SCHEMBL12930022 0.77 CYP2C9 (0.43) CA1CA2CCNA2CDK2HTR2A
SCHEMBL31042823 0.75 CA1 (0.40) CA1CA2CCNA2CDK2HTR2A
SCHEMBL15748689 0.74 CA1 (0.41) CA1CA2CCNA2CDK2HTR2A
SCHEMBL10227709 0.73 CCNA2 (0.40) CA1CA2CCNA2CDK2HTR2A
SCHEMBL20680132 0.73 CA1 (0.51) CA1CA2CCNA2CDK2HTR2A
SCHEMBL20680130 0.73 CA1 (0.46) CA1CA2CCNA2CDK2HTR2A
SCHEMBL30832189 0.73 CA1 (0.46) CA1CA2CCNA2CDK2HTR2A
SCHEMBL12930005 0.72 MEN1 (0.46) CA1CA2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240326030-A1 PALLADIUM COMPLEX AND CATALYST EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2024-10-03 US claimed
CN-118530144-A Paen Jia preparation method of beach 中国医学科学院药物研究所 2024-08-23 CN claimed
CN-115974856-A Preparation method of medicine of vatistal for treating adult T cell leukemia lymphoma 北京康立生医药技术开发有限公司 2023-04-18 CN claimed
EP-4737455-A1 COMPOUND CONTAINING MULTI-FUSED RING STRUCTURE Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2026-05-06 EP disclosed
US-20260098037-A1 COMPOUND CONTAINING MULTI-FUSED RING STRUCTURE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2026-04-09 US disclosed
US-20250153157-A1 PALLADIUM PRECATALYST EMBODIMENTS FOR ENANTIOSELECTIVE CHEMICAL REACTIONS AND METHODS OF MAKING AND USING THE SAME UVIC IND PARTNERSHIPS INC (CA) 2025-05-15 US disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
WO-2025067126-A1 PYRIDONE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND APPLICATION 深圳信立泰药业股份有限公司 2025-04-03 WO disclosed
CN-119546584-A Bicyclic compounds and their use as pest control agents PI工业有限公司 2025-02-28 CN disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
CN-119301129-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2025-01-10 CN disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 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 (7 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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 CACNA1G 4673/4885CACNA1H 4775/4885CACNA1I 4682/4885
US-20240326030-A1 PALLADIUM COMPLEX AND CATALYST EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME PDCD6IP, PDPK1, PDCD10 CACNA1G 3454/4885CACNA1H 3709/4885CACNA1I 3747/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R CACNA1G 4628/4885CACNA1H 4582/4885CACNA1I 4767/4885
US-20260098037-A1 COMPOUND CONTAINING MULTI-FUSED RING STRUCTURE SLC5A2, SLC5A11, SLC5A1 CACNA1G 2367/4885CACNA1H 1728/4885CACNA1I 2447/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CACNA1G 4628/4885CACNA1H 4582/4885CACNA1I 4767/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA CACNA1G 4476/4885CACNA1H 4639/4885CACNA1I 4441/4885
US-20250153157-A1 PALLADIUM PRECATALYST EMBODIMENTS FOR ENANTIOSELECTIVE CHEMICAL REACTIONS AND METHODS OF MAKING AND USING THE SAME PPOX, PDCD1, DDT CACNA1G 4184/4885CACNA1H 4326/4885CACNA1I 4270/4885

“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.