SCHEMBL766829

SCHEMBL766829

CNc1ncnc(Cl)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.49
RAB9A P51151 4/20 0.45
MAPT P10636 8/20 0.44
GAA P10253 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
HTT P42858 5/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PDPK1 O15530 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
WDR5 P61964 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL19941773 0.80 RAB9A (0.46) GALR3RAB9AMAPTGAARXFP1
SCHEMBL31277798 0.80 RAB9A (0.46) GALR3RAB9AMAPTGAARXFP1
SCHEMBL4060781 0.78 GALR3 (0.56) GALR3RAB9AMAPTGAARXFP1
SCHEMBL2480481 0.78 GALR3 (0.45) GALR3RAB9AMAPTGAARXFP1
SCHEMBL5565234 0.77 PDPK1 (0.44) MAPTGAAKDM4EKMT2AL3MBTL1
SCHEMBL14782611 0.77 PDPK1 (0.39) GALR3MAPTHTTKDM4EKMT2A
SCHEMBL17815674 0.77 RAB9A (0.64) GALR3RAB9AMAPTGAARXFP1
SCHEMBL14010082 0.76 PDPK1 (0.38) GALR3KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL18520486 0.76 PDPK1 (0.42) GALR3KDM4EKMT2ALMNAALDH1A1
SCHEMBL14123472 0.76 YTHDC1 (0.41) GALR3KMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
EP-2920171-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
WO-2018119076-A1 DIARYL PURINE DERIVATIVES WITH IMPROVED BIOAVAILABILITY RESEARCH TRIANGLE INSTITUTE (US) 2018-06-28 WO disclosed
US-9938281-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-9938281-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
EP-2616469-B1 9H-PURINE COMPOUNDS AS PI3K-DELTA INHIBITORS AND METHODS FOR THEIR MANUFACTURE EXELIXIS INC (US) 2016-10-26 EP disclosed
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-5256398-A Mixture of adenosine, or an adenosine antagonist, with an adenosine receptor WHITBY RESEARCH, INC. (US) 1993-10-26 US disclosed
EP-0300726-B1 PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS MERCK & CO. INC. (US) 1993-09-22 EP disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-10 EP disclosed
US-5117830-A Dilating the vascular system with adenosine; labeling; supplying a adenosine recetor antagonist WHITBY RESEARCH, INC. (US) 1992-06-02 US disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 EP disclosed
US-5057517-A Piperazinyl derivatives of purines and isosteres thereof as hypoglycemic agents MERCK & CO., INC. (US) 1991-10-15 US disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 WO disclosed
EP-0300726-A1 Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents MERCK & CO. INC. (US) 1989-01-25 EP disclosed
EP-0144101-A2 Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-12 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 (1 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-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA GALR3 1921/4885RAB9A 2183/4885MAPT 4627/4885

“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.