SCHEMBL3142328

SCHEMBL3142328

O=[C]c1cc2ncccn2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
PIK3CG P48736 2/20 0.33
PDE10A Q9Y233 1/20 0.33
KDR P35968 5/20 0.32
PDGFRB P09619 4/20 0.32
CDK2 P24941 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SMPD3 Q9NY59 1/20 0.31
AXL P30530 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL14629345 0.81 APOBEC3A (0.49) APOBEC3AAPOBEC3GPIK3CGPDE10ACDK2
Benzene SCHEMBL1991469 0.80 APOBEC3A (0.51) APOBEC3AAPOBEC3GPIK3CGPDE10AKDR
Pyridine SCHEMBL3347792 0.75 APOBEC3A (0.46) APOBEC3AAPOBEC3GMAP4K4PRKACACDK8
SCHEMBL30708692 0.74 APOBEC3A (0.61) APOBEC3AAPOBEC3GPIK3CGPDE10AKDR
SCHEMBL3347528 0.74 APOBEC3A (0.42) APOBEC3AAPOBEC3GKDRPDGFRBAURKA
Cyclohexene SCHEMBL9903643 0.73 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3345963 0.73 APOBEC3A (0.41) APOBEC3AAPOBEC3G
SCHEMBL3346983 0.72 APOBEC3A (0.40) APOBEC3AAPOBEC3GPIK3CGKDRPDGFRB
Toluene SCHEMBL9903136 0.72 APOBEC3A (0.43) APOBEC3AAPOBEC3GPIK3CGKDRPDGFRB
SCHEMBL9792881 0.71 APOBEC3A (0.53) APOBEC3AAPOBEC3GPIK3CGPDE10ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920171-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9730940-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME (US) 2017-08-15 US disclosed
US-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC 2015-12-10 US disclosed
EP-2920171-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014075392-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2014-05-22 WO disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 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-20150353552-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA APOBEC3A 712/4885APOBEC3G 626/4885PIK3CG 4/4885

“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.