Sugi Predict

Sugi Predict / Compounds / SCHEMBL873113

SCHEMBL873113

SCHEMBL873113

Cc1cc(C)cc(-n2cccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ NOTUM Q6P988 2/20 0.48
▸ GRM5 P41594 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ G6PD P11413 1/20 0.45
▸ KAT6A Q92794 10/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 1/20 0.40

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
SCHEMBL14964128 0.96 MAPT (0.49) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL387290 0.91 MAPT (0.47) MAPTNOTUMGRM5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11484961 0.89 MAPT (0.46) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL6209994 0.87 MAPT (0.43) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL16787410 0.87 KAT6A (0.46) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL526836 0.87 ALDH1A1 (0.47) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL26028856 0.84 MAPT (0.42) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL16115191 0.82 KAT6A (0.41) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL25753316 0.82 KAT6A (0.41) MAPTNOTUMGRM5KDM4EALDH1A1
SCHEMBL254441 0.82 TP53 (0.49) MAPTNOTUMGRM5KDM4EALDH1A1

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-103154044-B Process for producing polydienes BRIDGESTONE CO.,LTD. (JP) 2016-02-17 — — CN claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 — — EP claimed
CN-103154044-A Process for producing polydienes BRIDGESTONE CORP 2013-06-12 — — CN claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 — — WO claimed
CN-101965350-A Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents NATCO PHARMA LTD 2011-02-02 — — CN claimed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 — — US disclosed
CN-104803817-B The synthetic method of aryl sulfonic acid aryl ester type compound 上海大学 2017-12-05 — — CN disclosed
CN-104744337-B The synthetic method of aryl sulfonic acid alkyl esters compound 上海大学 2017-06-06 — — CN disclosed
US-20170154787-A1 CMP POLISHING LIQUID AND POLISHING METHOD RESONAC CORPORATION (JP) 2017-06-01 — — US disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 — — EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 — — EP disclosed
CN-105646754-A Method of producing polydiene 株式会社普利司通 2016-06-08 — — CN disclosed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 — — US disclosed
CN-1518534-A Copper-catalyzed carbon-heteroatom and carbon-carbon bond formation 麻省理工学院 2004-08-04 — — CN disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 — — US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 — — EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 — — US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 — — US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 — — WO disclosed
EP-0087780-A2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1983-09-07 — — 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 (4 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 MAPT 3157/4885NOTUM 4230/4885GRM5 1889/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MAPT 2654/4885NOTUM 848/4885GRM5 2711/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 MAPT 2654/4885NOTUM 848/4885GRM5 2711/4885
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 MAPT 261/4885NOTUM 784/4885GRM5 2609/4885

“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.