Sugi Predict

Sugi Predict / Compounds / SCHEMBL167722

SCHEMBL167722

SCHEMBL167722

Cc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MMP13 P45452 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ GALR3 O60755 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ ACHE P22303 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ SCN5A Q14524 2/20 0.42

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
SCHEMBL21345912 0.89 CYP3A4 (0.50) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL83814 0.84 TEAD4 (0.74) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL95343 0.84 TEAD4 (0.74) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL8540552 0.84 LMNA (0.47) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL83863 0.84 TEAD4 (0.74) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL29377968 0.81 TEAD4 (0.70) TEAD4ALDH1A1MEN1KMT2APOLB
Phosphine SCHEMBL22361928 0.81 TEAD4 (0.70) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL27689072 0.81 TEAD4 (0.70) TEAD4ALDH1A1MEN1KMT2APOLB
Fluoride SCHEMBL27620675 0.81 TEAD4 (0.70) TEAD4ALDH1A1MEN1KMT2APOLB
SCHEMBL3176437 0.80 RAF1 (0.64) MEN1KMT2AGALR3MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816365-B2 Amine derivatives MERCK PATENT GMBH (DE) 2010-10-19 — — US claimed
US-20100174089-A1 HETEROARYL ARYL ETHERS SALTIGO GMBH (DE) 2010-07-08 — — US claimed
EP-2179989-A2 Process for the preparation of heteroaryl - aryl ether Saltigo GmbH (DE) 2010-04-28 — — EP claimed
US-20070112006-A1 Amine derivatives MERCK PATENT GMBH (DE) 2007-05-17 — — US claimed
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 — — US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 — — EP disclosed
WO-2019173507-A1 ANTIBACTERIAL AGENTS : ARYLALKYLCARBOXAMIDO PHLOROGLUCINOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-09-12 — — WO disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 — — WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 — — WO disclosed
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 — — EP disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 — — US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 — — EP disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 — — US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 — — US disclosed
EP-1727820-A2 AMINE DERIVATIVES MERCK PATENT GmbH (DE) 2006-12-06 — — EP disclosed
WO-2005054246-A2 AMINE DERIVATIVES HAVING A TYROSINE-KINASE-INHIBITING EFFECT MERCK PATENT GMBH (DE) 2005-06-16 — — WO disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 — — WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 — — WO disclosed
US-4218456-A 1-(4-Fluorophenyl)-4-(1,2,3,6-tetrahydro-4-phenoxy-1-pyridinyl)-butanones WARNER-LAMBERT COMPANY (US) 1980-08-19 — — 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 (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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 TEAD4 543/4885ALDH1A1 4653/4885MEN1 1984/4885
US-20070112006-A1 Amine derivatives TIE1, FLT1, KDR TEAD4 1418/4885ALDH1A1 1680/4885MEN1 123/4885
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA TEAD4 2132/4885ALDH1A1 565/4885MEN1 2167/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TEAD4 1347/4885ALDH1A1 2583/4885MEN1 3174/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 TEAD4 4631/4885ALDH1A1 3977/4885MEN1 3821/4885

“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.