Sugi Predict

Sugi Predict / Compounds / SCHEMBL3205196

SCHEMBL3205196

SCHEMBL3205196

N#Cc1c(-c2ccccc2)ccnc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ ADORA1 P30542 11/20 0.58
▸ ADORA2A P29274 11/20 0.58
▸ KDM4E B2RXH2 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ ADORA2B P29275 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PIM1 P11309 1/20 0.50

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
SCHEMBL8560357 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL27544440 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7219981 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL17971409 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL16681058 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL27886232 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL27886224 0.78 MYC (0.40) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL5482017 0.78 LMNA (0.50) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL17610513 0.78 PDGFRB (0.47) ALDH1A1MEN1KMT2AADORA1ADORA2A
SCHEMBL4905628 0.76 ADORA2A (0.56) ALDH1A1MEN1KMT2AL3MBTL1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908764-A1 Azolo triazines and pyrimidines Bristol-Myers Squibb Pharma Company (US) 2008-04-09 — — EP claimed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 — — WO claimed
US-6060478-A ANTIDEPRESSANTS DUPONT PHARMACEUTICALS (US) 2000-05-09 — — US claimed
US-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2020-02-25 — — US disclosed
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2018-08-02 — — US disclosed
EP-3328868-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS The University of Manchester (GB) 2018-06-06 — — EP disclosed
WO-2017017469-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-02 — — WO disclosed
US-7678793-B2 Azolo triazines and pyrimidines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-16 — — US disclosed
EP-1908764-A1 Azolo triazines and pyrimidines Bristol-Myers Squibb Pharma Company (US) 2008-04-09 — — EP disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 — — US disclosed
EP-0915880-B1 AZOLO TRIAZINES AND PYRIMIDINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-10-10 — — EP disclosed
EP-1049699-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 2000-11-08 — — EP disclosed
US-6136809-A (1,5-A)-PYRAZOLO-PYRIMIDINES AND (1,5-A)-1,2,3-TRIAZOLO-PYRIMIDINES FOR TREATMENT OF CARDIOVASVULAR DISORDERS, STRESS AND PSYCHOLOGICAL DISORDERS WITH CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST DUPONT PHARMACEUTICALS (US) 2000-10-24 — — US disclosed
WO-2000059908-A2 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO disclosed
WO-2000059907-A2 PYRAZOLOTRIAZINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO disclosed
US-6124289-A TREATING ANXIETY OR DEPRESSION IN MAMMALS DUPONT PHARMACEUTICALS CO. (US) 2000-09-26 — — US disclosed
US-6060478-A ANTIDEPRESSANTS DUPONT PHARMACEUTICALS (US) 2000-05-09 — — US disclosed
WO-1999038868-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-05 — — WO disclosed
EP-0915880-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-05-19 — — EP disclosed
WO-1998003510-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-29 — — 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-10570157-B2 Cyclic diarylboron derivatives as NLRP3 inflammasome inhibitors NLRP3, IL1B, NOD1 ALDH1A1 759/4885MEN1 3635/4885KMT2A 4670/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 ALDH1A1 3084/4885MEN1 1860/4885KMT2A 2229/4885
US-20180215772-A1 CYCLIC DIARYLBORON DERIVATIVES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, IL1B, NOD1 ALDH1A1 759/4885MEN1 3635/4885KMT2A 4670/4885

“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.