SCHEMBL3192275

SCHEMBL3192275

CC(=O)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ AR P10275 1/20 0.54
▸ RIOK2 Q9BVS4 1/20 0.53
▸ SORT1 Q99523 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ IRAK1 P51617 1/20 0.51
▸ NEK4 P51957 1/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ HIPK4 Q8NE63 1/20 0.51
▸ SRPK1 Q96SB4 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ MAP3K20 Q9NYL2 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51
▸ MAP4K5 Q9Y4K4 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.50
▸ NR3C2 P08235 2/20 0.49

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
SCHEMBL2635853 0.85 ALDH1A1 (0.56) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL84506 0.85 L3MBTL1 (0.52) L3MBTL1KDRPIK3C3BRAF
SCHEMBL31264157 0.85 ALDH1A1 (0.56) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL19706639 0.84 PIK3C3 (0.58) NR3C2PIK3C3BRAFTOP2A
SCHEMBL16253003 0.84 AR (0.58) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL16637563 0.84 KDR (0.55) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL5029590 0.83 NR3C2 (0.67) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL14366953 0.83 ALDH1A1 (0.48) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL30875900 0.83 NR3C2 (0.67) L3MBTL1ALDH1A1GAAARRIOK2
SCHEMBL16254943 0.83 RIOK2 (0.60) L3MBTL1ALDH1A1GAAARRIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 — — EP disclosed
EP-3497087-B1 PYRROLO[1,2-C]PYRIMIDINE, IMIDAZO[1,5-C]PYRIMIDINE, QUINAZOLINE, PURINE AND IMIDAZO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2021-11-10 — — EP disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 — — US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — 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 (4 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 L3MBTL1 4308/4885ALDH1A1 2533/4885GAA 4497/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 L3MBTL1 4514/4885ALDH1A1 3279/4885GAA 4474/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 L3MBTL1 769/4885ALDH1A1 440/4885GAA 726/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 L3MBTL1 4757/4885ALDH1A1 615/4885GAA 3924/4885

“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.

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