SCHEMBL856563

SCHEMBL856563

COC(=O)c1cc(Br)c(OC)cc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
GAA P10253 5/20 0.57
POLB P06746 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD1 P21728 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL858261 0.93 KDM4E (0.74) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL169553 0.86 GAA (0.66) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL30447954 0.85 KDM4E (0.56) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31408659 0.85 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL372600 0.85 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL25341632 0.85 KDM4E (0.56) KDM4EGAAPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7410965 0.85 GAA (0.64) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL17653164 0.84 KDM4E (0.51) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL29915081 0.84 KDM4E (0.51) KDM4EGAAPOLBALDH1A1MAPT
SCHEMBL15217022 0.84 KDM4E (0.51) KDM4EGAAPOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1CBIO INC (US) 2026-01-22 US disclosed
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof 1CBIO, INC. (US) 2025-06-10 US disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
US-20240352046-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1CBIO INC (US) 2024-10-24 US disclosed
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 US disclosed
CN-117561258-A Novel substituted tricyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-02-13 CN disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 WO disclosed
EP-4236928-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF 1Cbio, Inc. (US) 2023-09-06 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP 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 (6 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 KDM4E 915/4885GAA 1908/4885POLB 1689/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 KDM4E 1195/4885GAA 1566/4885POLB 989/4885
US-20260022135-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, NCEH1 KDM4E 4523/4885GAA 1454/4885POLB 904/4885
US-20240109891-A1 NOVEL SUBSTITUTED TRICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 KDM4E 2082/4885GAA 2772/4885POLB 3641/4885
US-20240352046-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 KDM4E 3129/4885GAA 189/4885POLB 934/4885
US-12325720-B2 Ectonucleotide pyrophosphatase-phosphodiesterase-1 (ENPP1) inhibitors and uses thereof ENPP1, ENPP3, ENPP2 KDM4E 3129/4885GAA 189/4885POLB 934/4885

“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.