SCHEMBL12551798

SCHEMBL12551798

Cn1nc(Cc2ccccc2Br)c2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.52
▸ ABL1 P00519 6/20 0.52
▸ HCK P08631 3/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CSK P41240 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ CSNK1A1 P48729 1/20 0.52
▸ CSNK1E P49674 1/20 0.52
▸ PRKD1 Q15139 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ PRKD2 Q9BZL6 1/20 0.52
▸ CDK12 Q9NYV4 1/20 0.52
▸ CAMK2A Q9UQM7 1/20 0.52
▸ PIK3CD O00329 5/20 0.47
▸ PIK3CA P42336 5/20 0.47
▸ PIK3CB P42338 5/20 0.47

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
SCHEMBL12551801 0.86 SRC (0.51) SRCABL1HCKRIPK2PRKD3
SCHEMBL14574647 0.84 SRC (0.73) SRCABL1HCKRIPK2PRKD3
SCHEMBL29387839 0.84 SRC (0.73) SRCABL1HCKRIPK2PRKD3
SCHEMBL12551799 0.84 SRC (0.73) SRCABL1HCKRIPK2PRKD3
SCHEMBL1318894 0.75 SRC (0.62) SRCABL1HCKRIPK2PRKD3
SCHEMBL14647490 0.75 PIK3CD (0.47) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL869057 0.72 PIK3CD (0.52) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL12551828 0.72 SRC (0.52) SRCABL1HCKRIPK2PRKD3
SCHEMBL23917268 0.71 SRC (0.43) SRCABL1HCKRIPK2PRKD3
SCHEMBL12551850 0.71 SRC (0.51) SRCABL1HCKRIPK2PRKD3

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 5 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-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 SRC 3970/4885ABL1 2987/4885HCK 3072/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B SRC 3920/4885ABL1 2533/4885HCK 3559/4885

“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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