SCHEMBL10212549

SCHEMBL10212549

CC(C)c1cn(C)c2cnc(N)nc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.44
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ P2RX3 P56373 7/20 0.37
▸ P2RX2 Q9UBL9 7/20 0.37
▸ DHFR P00374 1/20 0.35
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL12393901 0.83 MAPKAPK2 (0.41) MAPKAPK2CDK5CDK5R1PIK3CB
SCHEMBL12457045 0.80 DHFR (0.36) MAPKAPK2P2RX3P2RX2DHFR
SCHEMBL24756693 0.77 MAPKAPK2 (0.47) MAPKAPK2CDK5CDK5R1PIK3CB
SCHEMBL22907450 0.72 DYRK1A (0.33) —
SCHEMBL10212533 0.70 — —
SCHEMBL12732223 0.68 KCNH2 (0.32) —
SCHEMBL30625076 0.68 P2RX3 (0.54) P2RX3P2RX2DHFR
SCHEMBL1319169 0.68 P2RX3 (0.54) P2RX3P2RX2DHFR
SCHEMBL12316236 0.66 P2RX3 (0.47) P2RX3P2RX2DHFR
SCHEMBL2611029 0.66 P2RX3 (0.45) P2RX3P2RX2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAPKAPK2 1905/4885CDK5 1473/4885CDK5R1 1381/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPKAPK2 1905/4885CDK5 1473/4885CDK5R1 1381/4885

“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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