Sugi Predict

Sugi Predict / Compounds / SCHEMBL440663

SCHEMBL440663

SCHEMBL440663

CC(C)c1cc2c(O)ncnc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SELE P16581 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ EGFR P00533 4/20 0.33
▸ CDK2 P24941 3/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ FDPS P14324 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32

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
SCHEMBL14970131 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1FGFR1HPGD
SCHEMBL13975966 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDSELE
SCHEMBL10271468 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL439142 0.79 SELE (0.56) MEN1KMT2AALDH1A1HPGDSELE
SCHEMBL3388247 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1FGFR1KDM4E
SCHEMBL10220444 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSELE
SCHEMBL439234 0.76 FGFR1 (0.54) MEN1KMT2AFGFR1GAA
SCHEMBL7258860 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1FGFR1KDM4E
SCHEMBL1604572 0.75 SELE (0.44) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL1192721 0.72 EGFR (0.49) MEN1KMT2AFGFR1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 — — EP disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 — — US disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 — — US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 — — US disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 — — US disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 — — EP disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 — — EP disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 — — US disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 — — US disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 — — US disclosed
CN-101048412-A Piperidinylamino-thieno [2, 3-D ] pyrimidine compounds EPIX DELAWARE INC (US) 2007-10-03 — — CN disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 — — EP disclosed
CN-1777612-A New piperidinylamino-thieno[2,3-d] pyrimidine compounds PREDIX PHARMACEUTICALS HOLDING (US) 2006-05-24 — — CN disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 — — US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 — — WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 — — EP disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 — — US disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 — — US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 — — US disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 — — 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A MEN1 2389/4885KMT2A 4258/4885ALDH1A1 1234/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A MEN1 2833/4885KMT2A 3770/4885ALDH1A1 1336/4885
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 MEN1 2728/4885KMT2A 527/4885ALDH1A1 1305/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B MEN1 4118/4885KMT2A 3047/4885ALDH1A1 1583/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A MEN1 2784/4885KMT2A 4320/4885ALDH1A1 1014/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 MEN1 2728/4885KMT2A 527/4885ALDH1A1 1305/4885

“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.