SCHEMBL14612959

SCHEMBL14612959

CCc1cnc(NCCNC(C)C)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ NOS3 P29474 1/20 0.30

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
SCHEMBL8201848 0.72 RAB9A (0.43) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL14612942 0.70 CA1 (0.45) ALDH1A1HSD17B10MEN1CYP2D6TSHR
SCHEMBL14612958 0.69 USP2 (0.32) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL14582229 0.69 CHEK1 (0.34) HRH4
SCHEMBL8353258 0.68 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ARAB9AKAT2B
SCHEMBL15044977 0.66 NOS3 (0.37) TRPM8NOS3NOS1NOS2
SCHEMBL21657680 0.65 DHFR (0.39) NOS3NOS1NOS2
SCHEMBL12186160 0.65 LMNA (0.42) ALDH1A1CYP1A2HSD17B10MEN1TSHR
SCHEMBL27702560 0.64 ALDH1A1 (0.42) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL24718748 0.62 RXRA (0.41) ALDH1A1CYP1A2CASP1CASP7HSD17B10

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-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 — — 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 ALDH1A1 282/4885CYP1A2 372/4885CASP1 41/4885

“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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