SCHEMBL12551789

SCHEMBL12551789

Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 1.00
PRKDC P78527 17/20 1.00
PIK3CA P42336 15/20 1.00
PIK3CB P42338 15/20 1.00
PIK3CG P48736 15/20 1.00
SRC P12931 9/20 1.00
ABL1 P00519 7/20 1.00
EGFR P00533 5/20 1.00
HCK P08631 5/20 1.00
KDR P35968 5/20 1.00
MTOR P42345 5/20 1.00
EPHB4 P54760 5/20 1.00
NUDT14 O95848 1/20 0.67
NUDT5 Q9UKK9 1/20 0.67
PI4KB Q9UBF8 1/20 0.64

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
SCHEMBL130611 0.87 PIK3CD (0.77) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL129615 0.86 SRC (0.79) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL12608279 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL1964558 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL21048473 0.84 PIK3CD (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL14574867 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL29390926 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL29390060 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL30385963 0.84 PIK3CD (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL29391405 0.84 SRC (1.00) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US 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-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines TSLP, NLRP3, IL1B PIK3CD 3674/4885PRKDC 1687/4885PIK3CA 3812/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B PIK3CD 3413/4885PRKDC 2166/4885PIK3CA 2924/4885

“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.