SCHEMBL13845116

SCHEMBL13845116

Cc1cc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.72
▸ ABL1 P00519 9/20 0.72
▸ PIK3CD O00329 1/20 0.72
▸ PIK3CA P42336 1/20 0.72
▸ PIK3CB P42338 1/20 0.72
▸ PIK3CG P48736 1/20 0.72
▸ PRKDC P78527 1/20 0.72
▸ RIPK2 O43353 3/20 0.65
▸ FYN P06241 3/20 0.65
▸ CSNK1D P48730 3/20 0.65
▸ PRKD3 O94806 2/20 0.65
▸ CSK P41240 2/20 0.65
▸ PRKD2 Q9BZL6 2/20 0.65
▸ MAPK8 P45983 2/20 0.65
▸ CDK2 P24941 1/20 0.65
▸ PRKCE Q02156 1/20 0.65
▸ PRKD1 Q15139 1/20 0.65
▸ CAMK2A Q9UQM7 1/20 0.65
▸ KDR P35968 3/20 0.62
▸ RET P07949 2/20 0.62

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
SCHEMBL1964558 0.84 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390926 0.84 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390060 0.84 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL409031 0.81 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14617289 0.80 SRC (0.74) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12551744 0.80 SRC (0.67) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL173288 0.79 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12551746 0.79 SRC (0.74) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29379380 0.79 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29389632 0.79 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B SRC 3920/4885ABL1 2533/4885PIK3CD 3413/4885

“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.

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