SCHEMBL2824611

SCHEMBL2824611

CN(C)C(=[O+]n1nnc2ccccc21)N(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KEAP1 Q14145 1/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DGAT1 O75907 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
KCNMA1 Q12791 2/20 0.36
MGAM O43451 4/20 0.35

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
SCHEMBL1941412 1.00 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL44479 1.00 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL5332213 0.99 SLC9A1 (0.40) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL78773 0.94 SLC9A1 (0.46) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL30378712 0.94 SLC9A1 (0.46) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL1395480 0.93 POLB (0.54) SLC9A1POLBMAPK1ATMKEAP1
Bromide SCHEMBL5514455 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL5090298 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL1462681 0.92 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL5600925 0.91 SLC9A1 (0.41) SLC9A1POLBMAPK1ATMKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-06-27 US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 US disclosed
US-20150158876-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-06-11 US disclosed
US-8981089-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US disclosed
US-20130338148-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-19 US disclosed
EP-1636236-B1 PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
US-8541429-B2 Pyrazolo quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20030195152-A1 Polymeric conjugates of antitumor agents PHARMACIA ITALIA, S.P.A. (IT) 2003-10-16 US disclosed
EP-1317287-A2 POLYMERIC CONJUGATES OF ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-06-11 EP disclosed
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US disclosed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US disclosed
US-6486322-B1 Azaindole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-11-26 US disclosed
WO-2002007770-A2 POLYMERIC CONJUGATES OF ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-01-31 WO disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed
EP-0592791-A2 Tricyclic compounds and peptide derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1994-04-20 EP 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 (7 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-20030195152-A1 Polymeric conjugates of antitumor agents MMP11, MMP3, MMP10 SLC9A1 700/4885POLB 675/4885MAPK1 1634/4885
US-20190194214-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 SLC9A1 4063/4885POLB 1584/4885MAPK1 77/4885
US-20150158876-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 SLC9A1 4063/4885POLB 1584/4885MAPK1 77/4885
US-20130338148-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 SLC9A1 4063/4885POLB 1584/4885MAPK1 77/4885
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 SLC9A1 77/4885POLB 4738/4885MAPK1 573/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 SLC9A1 4063/4885POLB 1584/4885MAPK1 77/4885
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 SLC9A1 1906/4885POLB 2324/4885MAPK1 244/4885

“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.