SCHEMBL2390447

SCHEMBL2390447

Cc1nc(Oc2ccc3c(c2)OCO3)c(N)c(-c2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS2 P35228 4/20 0.38
MAP2K4 P45985 1/20 0.36
MPL P40238 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
F10 P00742 1/20 0.33
CLK1 P49759 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
SCHEMBL2307176 0.84 MPL (0.41) LMNARAB9AMPLADORA2AF10
SCHEMBL1891742 0.83 MAP2K4 (0.48) ALDH1A1LMNAMAP2K4MPLADORA2A
SCHEMBL2386528 0.83 L3MBTL1 (0.46) MAPK1LMNARAB9ASMN1; SMN2MPL
SCHEMBL2388021 0.83 MPL (0.40) ALDH1A1MAPK1NPC1LMNARAB9A
SCHEMBL2386527 0.82 ADORA2A (0.43) ALDH1A1LMNARAB9AMPLADORA2A
SCHEMBL2388782 0.82 MPL (0.42) ALDH1A1LMNAMPLADORA2AF10
SCHEMBL2387270 0.82 MPL (0.36) ALDH1A1MPLADORA2AF10DYRK1A
SCHEMBL2387507 0.80 ADORA2A (0.44) ALDH1A1LMNASMN1; SMN2MPLADORA2A
SCHEMBL2386650 0.78 MPL (0.41) ALDH1A1MPLADORA2AHSD11B1ALOX5AP
SCHEMBL2390925 0.77 HSD11B1 (0.43) LMNAMPLHSD11B1ALOX5AP

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 ALDH1A1 2121/4885MAPK1 826/4885NPC1 3446/4885

“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.