Sugi Predict

Sugi Predict / Compounds / SCHEMBL3320599

SCHEMBL3320599

SCHEMBL3320599

COc1ccc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.76
▸ CSF1R P07333 1/20 0.69
▸ NPC1 O15118 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPT P10636 1/20 0.57
▸ GRM1 Q13255 1/20 0.57
▸ RIPK2 O43353 1/20 0.56
▸ EPHB2 P29323 1/20 0.56
▸ ERBB2 P04626 2/20 0.55
▸ LCK P06239 3/20 0.55
▸ KDR P35968 2/20 0.54
▸ DYRK3 O43781 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PDGFRA P16234 1/20 0.54
▸ LTK P29376 1/20 0.54
▸ GRK5 P34947 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ CDK8 P49336 1/20 0.54

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
SCHEMBL25465024 0.87 EGFR (1.00) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL8807167 0.85 EGFR (0.75) EGFRRIPK2EPHB2LCKKDR
SCHEMBL24028615 0.83 EGFR (0.63) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL24028375 0.83 EGFR (0.63) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL30417165 0.83 EGFR (0.63) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL30416308 0.83 EGFR (0.63) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL24028377 0.82 EGFR (0.62) EGFRCSF1RNPC1HTTRAB9A
SCHEMBL8364147 0.82 EGFR (0.73) EGFRCSF1RERBB2AURKB
SCHEMBL6979258 0.81 ABCG2 (0.69) EGFRNPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8516667 0.81 AURKB (0.64) EGFRRIPK2EPHB2ERBB2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 — — US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 — — US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 — — US disclosed
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-03-05 — — US disclosed
US-8912205-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-12-16 — — US disclosed
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-21 — — US disclosed
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 — — US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 — — US disclosed
US-20070238875-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-10-11 — — US disclosed
US-20070015775-A1 HETEROCYCLIC COMPOUNDS LEO OSPREY LIMITED (GB) 2007-01-18 — — US disclosed
US-7109333-B2 Heterocyclic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 — — US disclosed
EP-1460072-B1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 2006-04-05 — — EP disclosed
US-20050130996-A1 Heterocyclic compounds NOVARTIS AG (CH) 2005-06-16 — — US disclosed
EP-1460072-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-09-22 — — EP disclosed
EP-1454907-A1 Quninazoline and pyridopyrmidine derivatives Glaxo Group Limited (GB) 2004-09-08 — — EP disclosed
US-6713485-B2 ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION 2004-03-30 — — US disclosed
US-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound LEO OSPREY LIMITED (GB) 2003-09-18 — — US disclosed
US-20020147205-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 — — US disclosed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 — — EP disclosed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 — — 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 (10 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-20030176451-A1 Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound CCNH, HRH2, HRH1 EGFR 3409/4885CSF1R 1967/4885NPC1 2750/4885
US-20020147205-A1 Heterocyclic compounds ERBB2, ERBB3, ERBB4 EGFR 4/4885CSF1R 2612/4885NPC1 2498/4885
US-20050130996-A1 Heterocyclic compounds CCNH, SDHA, CYP1A2 EGFR 3748/4885CSF1R 3804/4885NPC1 1701/4885
US-20070015775-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885CSF1R 3804/4885NPC1 1701/4885
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885CSF1R 1157/4885NPC1 1696/4885
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885CSF1R 1751/4885NPC1 4117/4885
US-20130310562-A1 Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors ABL1, ERBB2, SRC EGFR 7/4885CSF1R 1157/4885NPC1 1696/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885CSF1R 1157/4885NPC1 1696/4885
US-20150065527-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC EGFR 7/4885CSF1R 1157/4885NPC1 1696/4885
US-20070238875-A1 HETEROCYCLIC COMPOUNDS CCNH, SDHA, CYP1A2 EGFR 3748/4885CSF1R 3804/4885NPC1 1701/4885

“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.