SCHEMBL14294259

SCHEMBL14294259

CCc1cccc(CNCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.50
▸ CD274 Q9NZQ7 3/20 0.50
▸ POLB P06746 1/20 0.49
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ GSR P00390 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CHRM2 P08172 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ VSIR Q9H7M9 3/20 0.42

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
SCHEMBL10859843 0.90 PDCD1 (0.53) PDCD1CD274GSRSMN1; SMN2CHRM2
SCHEMBL12972118 0.81 MC4R (0.54) CYP1A2CYP2D6CYP2C19CHRM2VSIR
SCHEMBL7023370 0.81 ENPP2 (0.47) PDCD1CD274SMN1; SMN2CHRM2VSIR
SCHEMBL13253641 0.81 MEN1 (0.47) CYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL14492270 0.81 PDCD1 (0.54) PDCD1CD274GSRSMN1; SMN2VSIR
SCHEMBL13918962 0.81 BCHE (0.54) PDCD1CD274GSRSMN1; SMN2VSIR
SCHEMBL8252697 0.80 L3MBTL1 (0.56) PDCD1CD274POLBCYP1A2CYP2D6
SCHEMBL12956919 0.80 PARP1 (0.43) CYP1A2CYP2D6CYP2C19CHRM2LMNA
SCHEMBL30821501 0.80 GAA (0.53) PDCD1CD274SMN1; SMN2VSIR
SCHEMBL20428086 0.80 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C19SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 — — 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-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 PDCD1 1475/4885CD274 2361/4885POLB 710/4885

“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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