SCHEMBL2387260

SCHEMBL2387260

Cc1nc(Oc2ccccc2N2CCCCC2)c(N)c(-c2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.36
TEK Q02763 6/20 0.36
KDR P35968 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MPL P40238 1/20 0.35
ALOX5AP P20292 2/20 0.35
NPY5R Q15761 3/20 0.35
AGER Q15109 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FEN1 P39748 2/20 0.35
GAA P10253 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL2387951 0.92 KDM4E (0.43) USP2SMN1; SMN2TEKKDRALDH1A1
SCHEMBL2386650 0.85 MPL (0.41) HSD11B1ALDH1A1MPLALOX5APFEN1
SCHEMBL2386527 0.80 ADORA2A (0.43) HSD11B1ALDH1A1MPLALOX5APKDM4E
SCHEMBL2307176 0.79 MPL (0.41) HSD11B1MPLALOX5APMAPTL3MBTL1
SCHEMBL2390925 0.79 HSD11B1 (0.43) HSD11B1HPGDMPLALOX5APMAPT
SCHEMBL2388701 0.78 AR (0.38) HSD11B1MPLALOX5APFEN1
SCHEMBL2388021 0.77 MPL (0.40) HSD11B1ALDH1A1HPGDMPLALOX5AP
SCHEMBL2386528 0.77 L3MBTL1 (0.46) USP2SMN1; SMN2HSD11B1HPGDMPL
SCHEMBL2388696 0.77 ALOX5AP (0.40) ALDH1A1MPLALOX5APKDM4EMAPT
SCHEMBL2387270 0.76 MPL (0.36) HSD11B1ALDH1A1MPLALOX5APKDM4E

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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 US claimed
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 USP2 3660/4885SMN1; SMN2 232/4885HSD11B1 4016/4885

“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.