SCHEMBL763785

SCHEMBL763785

CSc1cc(N)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HSP90AB1 P08238 2/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
DYRK1A Q13627 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAP3K5 Q99683 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
SLC9A1 P19634 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
SCHEMBL6829600 0.79 HSP90AB1 (0.49) HRH3HSP90AB1MAPTNOS3NOS1
SCHEMBL15689263 0.79 HSP90AB1 (0.40) HSP90AB1MAPTNOS3NOS1NOS2
SCHEMBL191457 0.77 KMT2A (0.59) HSP90AB1MAPTKMT2AHSP90AA1MEN1
SCHEMBL8126538 0.77 MAPT (0.34) MAPTNOS3NOS1NOS2IDO1
SCHEMBL14163375 0.77 KMT2A (0.42) HRH4HRH3HSP90AB1MAPTKMT2A
SCHEMBL754084 0.76 KMT2A (0.40) HRH4HRH3MAPTKMT2ADYRK1A
SCHEMBL27828127 0.74 ALDH1A1 (0.47) HSP90AB1HSP90AA1NPC1RAB9A
SCHEMBL23240417 0.73 TRPM8 (0.35) MAPTKMT2ANOS3NOS1NOS2
SCHEMBL10620437 0.73 HRH4 (0.38) HRH4HSP90AB1MAPTKMT2AHSP90AA1
SCHEMBL96485 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
EP-1467996-B1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-30 EP disclosed
EP-1467996-A1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-20 EP disclosed
US-6642381-B2 Containing tertiary alkyl amine, pyrollidine, morpholine or piperazine moieties; optionally containing unsubstituted or substituted phenyl or naphthyl groups HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030153756-A1 Pyrimido[5,4-e] [1,2,4]triazine-5, 7-diamine compounds as protein tyrosine phosphatase inhibitors GUERTIN KEVIN RICHARD (US) 2003-08-14 US disclosed
WO-2003055883-A1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-10 WO disclosed
US-4761475-A 2,4-diaminopyrimidines substituted with heterobicyclomethyl radicals at the 5 position useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1988-08-02 US disclosed
US-4587342-A 2,4-diamino-(substituted-benzopyran(quinolyl,isoquinoly)methyl)pyrimidines useful as antibacterials SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 1986-05-06 US disclosed
EP-0051879-B1 SUBSTITUTED PYRIMIDINES, THEIR SYNTHESIS AND COMPOSITIONS CONTAINING THEM, THEIR USE IN MEDICINE AND INTERMEDIATES FOR MAKING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
US-4568744-A ANTIBACTERICIDES AND DIRUETIC INTERMEDIATES BURROUGHS WELLCOME CO. (US) 1986-02-04 US disclosed
EP-0051879-A2 Substituted pyrimidines, their synthesis and compositions containing them, their use in medicine and intermediates for making them THE WELLCOME FOUNDATION LIMITED (GB) 1982-05-19 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 (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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG HRH4 3250/4885HRH3 2427/4885HSP90AB1 567/4885
US-20030153756-A1 Pyrimido[5,4-e] [1,2,4]triazine-5, 7-diamine compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTPA HRH4 3225/4885HRH3 4533/4885HSP90AB1 2434/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG HRH4 3437/4885HRH3 2519/4885HSP90AB1 584/4885
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 HRH4 113/4885HRH3 418/4885HSP90AB1 3376/4885

“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.