SCHEMBL2038871

SCHEMBL2038871

Cc1nc(C(=O)O)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
KMO O15229 3/20 0.35
KDM4E B2RXH2 4/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PTGFR P43088 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL31366256 1.00 KMT2A (0.38) KMT2ANPC1RAB9AHPGDKMO
SCHEMBL30326005 0.84 RAB9A (0.38) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL22256745 0.82 NPC1 (0.40) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL30326198 0.79 CYP4F2 (0.39) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL20517447 0.79 NPC1 (0.41) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL30600870 0.79 NPC1 (0.41) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL20517639 0.79 ALDH1A1 (0.36) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL18420384 0.79 CYP4F2 (0.39) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL30600776 0.79 ALDH1A1 (0.36) KMT2ANPC1RAB9AHPGDKDM4E
SCHEMBL2790057 0.79 HPGD (0.39) KMT2AHPGDKMOKDM4EHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
US-20170305932-A1 Fused Pentacyclic Imidazole Derivatives SANOFI (FR) 2017-10-26 US disclosed
CN-107108672-A The five rings imdazole derivatives of fusion UCB生物制药私人有限公司 2017-08-29 CN disclosed
EP-3201196-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-09 EP disclosed
EP-3080115-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
WO-2016050975-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-07 WO disclosed
WO-2015086506-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
EP-2513128-A2 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION University of Basel (CH) 2012-10-24 EP disclosed
WO-2011073112-A2 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2011-06-23 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 (5 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 KMT2A 1702/4885NPC1 520/4885RAB9A 1177/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A KMT2A 2464/4885NPC1 2668/4885RAB9A 1534/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 KMT2A 4312/4885NPC1 3608/4885RAB9A 1151/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 KMT2A 1099/4885NPC1 1022/4885RAB9A 2736/4885
US-20170305932-A1 Fused Pentacyclic Imidazole Derivatives TNF, NFKBIA, TNFRSF1A KMT2A 2464/4885NPC1 2668/4885RAB9A 1534/4885

“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.