SCHEMBL10266502

SCHEMBL10266502

CNc1nc(C(C)C)cc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.52
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP2D6 P10635 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
CYP2C9 P11712 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 2/20 0.37
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
CYP1A1 P04798 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL802246 0.86 APP (0.48) SYKKDM4ELMNAMAPTPRKCH
SCHEMBL24996518 0.79 SYK (0.56) SYKCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL15233158 0.79 SYK (0.56) SYKCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL24996531 0.79 KDM4E (0.41) SYKCYP3A4KDM4ELMNAMAPT
SCHEMBL30133446 0.78 SYK (0.55) SYKCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL26130603 0.78 SYK (0.55) SYKCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14393884 0.77 HTR3A (0.48) SYKCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL24174385 0.75 L3MBTL1 (0.38) SYKCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24995614 0.75 KDM4E (0.37) SYKCYP3A4KDM4ELMNAMAPT
SCHEMBL13963111 0.75 EGFR (0.41) SYKCYP1A2CYP3A4HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A SYK 929/4885CYP1A2 1818/4885CYP3A4 1976/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 SYK 472/4885CYP1A2 3042/4885CYP3A4 2929/4885

“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.