Sugi Predict

Sugi Predict / Compounds / SCHEMBL10061629

SCHEMBL10061629

SCHEMBL10061629

CNCc1n[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.47
▸ KDM4E B2RXH2 9/20 0.47
▸ GAA P10253 4/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AR P10275 1/20 0.39

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
SCHEMBL20417180 0.83 KDM4E (0.48) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL13557136 0.82 KDM4E (0.44) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL18901282 0.81 KDM4E (0.47) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL19954191 0.81 KDM4E (0.43) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL6008592 0.79 KDM4E (0.44) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL1259223 0.79 KDM4E (0.45) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL254885 0.79 KDM4E (0.52) YTHDC1KDM4EGAAPDPK1CYP3A4
SCHEMBL15078644 0.77 ITK (0.44) KDM4EALDH1A1HIF1ASMN1; SMN2RAB9A
SCHEMBL25231678 0.76 KDM4E (0.49) YTHDC1KDM4EGAACYP1A2ALDH1A1
SCHEMBL14451980 0.76 FADS1 (0.46) MAPK10KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
WO-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — WO disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 — — US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 — — US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — WO disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 — — 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 (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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 YTHDC1 3744/4885KDM4E 786/4885GAA 4502/4885
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 YTHDC1 4537/4885KDM4E 3154/4885GAA 2362/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 YTHDC1 4552/4885KDM4E 3337/4885GAA 2119/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 YTHDC1 1425/4885KDM4E 2694/4885GAA 4452/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 YTHDC1 4537/4885KDM4E 3154/4885GAA 2362/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 YTHDC1 4511/4885KDM4E 2464/4885GAA 539/4885

“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.