SCHEMBL3340955

SCHEMBL3340955

COc1cc(C(N)=O)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
PARP1 P09874 2/20 0.52
PARP10 Q53GL7 2/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51

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
SCHEMBL29415167 0.86 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL335681 0.86 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29161873 0.85 MEN1 (0.53) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL8424777 0.85 MAPK1 (0.60) MAPK1TSHRCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5154533 0.84 MAPK1 (0.74) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL2601961 0.83 CYP1A2 (0.81) MAPK1TSHRCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL10554176 0.83 MAPK1 (0.58) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL801748 0.82 LMNA (0.57) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL503429 0.82 CA12 (0.71) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL31406172 0.82 CA12 (0.71) MAPK1TSHRCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991661-B Preparation method of high-purity non-neridone key intermediate 浙江科聚生物医药有限公司 2024-10-01 CN claimed
EP-4143187-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-ALPHA AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-05-08 EP claimed
CN-115991661-A Preparation method of high-purity non-neridone key intermediate 浙江科聚生物医药有限公司 2023-04-21 CN claimed
CN-115485275-A Compounds and compositions that inhibit HIF 2-alpha activity and methods of use thereof 诺华股份有限公司 2022-12-16 CN claimed
CN-115368272-A Preparation method of 4-cyano-2-methoxybenzaldehyde 汉瑞药业(荆门)有限公司 2022-11-22 CN claimed
CN-107721869-A A kind of synthetic method of the cyanobenzaldehyde of 2 methoxyl group 4 上海雅本化学有限公司 2018-02-23 CN claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-4698175-A1 LYSINE ACETYLTRANSFERASE 6A (KAT6A) INHIBITOR, COMBINATIONS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-02-25 EP disclosed
US-12448365-B2 Aryl aminopyrimidines as dual MerTK and TYRO3 inhibitors and methods thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2025-10-21 US disclosed
CN-116157403-B Morphology of treasiril and method for producing same 海南先声再明医药股份有限公司 2025-04-25 CN disclosed
WO-2025081982-A1 PREPARATION METHOD FOR FINERENONE KEY INTERMEDIATE 山东诚创蓝海医药科技有限公司 2025-04-24 WO disclosed
CN-119859112-A Preparation method of non-neridrone key intermediate 山东诚创蓝海医药科技有限公司 2025-04-22 CN disclosed
CN-119823124-A Compounds for targeted degradation of BRD9 C4医药公司 2025-04-15 CN disclosed
US-6946472-B2 Polycyclic compounds exhibiting anti-tumor activities HOFFMAN-LA ROCHE INC. (US) 2005-09-20 US disclosed
EP-1436293-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6680326-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2004-01-20 US disclosed
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities F.HOFFMANN-LA ROCHE AG (CH) 2003-12-11 US disclosed
WO-2003093265-A1 DIMERIC POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF TUMORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-13 WO disclosed
US-20030073691-A1 Polycyclic compounds HOFFMANN-LA ROCHE INC. 2003-04-17 US disclosed
WO-2003031444-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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 (3 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-20030073691-A1 Polycyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, PKD1 MAPK1 2584/4885TSHR 2557/4885CYP1A2 1989/4885
US-12448365-B2 Aryl aminopyrimidines as dual MerTK and TYRO3 inhibitors and methods thereof MERTK, TYRO3, MATK MAPK1 763/4885TSHR 2254/4885CYP1A2 3562/4885
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities RB1, CCNA1, ACIN1 MAPK1 1957/4885TSHR 2461/4885CYP1A2 2249/4885

“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.