SCHEMBL15720091

SCHEMBL15720091

O=[C]c1cc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK7 P50613 1/20 0.46
TYRO3 Q06418 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HDAC4 P56524 1/20 0.38
TP53 P04637 8/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2718514 0.81 MAP4K4 (0.42) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL12540270 0.81 MAP4K4 (0.42) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL9934927 0.80 MAP4K4 (0.34) MAP4K4ABL1MAPK8CSNK1A1CDK7
Benzene SCHEMBL1992058 0.79 MAP4K4 (0.41) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL29937305 0.75 MAP4K4 (0.42) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL25331825 0.73 MAP4K4 (0.58) MAP4K4ABL1MAPK8CSNK1A1CDK7
Toluene SCHEMBL9903320 0.73 MAP4K4 (0.40) MAP4K4ABL1MAPK8CSNK1A1CDK7
Cyclohexene SCHEMBL9903303 0.72 MAP4K4 (0.36) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL2849283 0.69 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL13569111 0.69 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US claimed
EP-2920171-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2018-08-29 EP 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-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC 2015-12-10 US disclosed
EP-2920172-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
EP-2920171-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014075393-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
WO-2014075392-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 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 (2 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-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA MAP4K4 1211/4885ABL1 631/4885MAPK8 893/4885
US-20160207926-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA MAP4K4 1063/4885ABL1 881/4885MAPK8 1090/4885

“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.