SCHEMBL13548147

SCHEMBL13548147

CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 4/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38

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
SCHEMBL3064745 0.88 TGFBR1 (0.38) GRM2MAPTKDM4ELMNA
SCHEMBL3059995 0.84 KMT2A (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3065381 0.82 TP53 (0.43) MAPTGAAPDE10A
SCHEMBL3059646 0.81 RPS6KA5 (0.37) GRM2MAPTNPC1RAB9ACASP1
SCHEMBL3055685 0.80 MAPT (0.49) GRM2MAPTGAAPKMSMN1; SMN2
SCHEMBL13089471 0.80 GRM2 (0.35) GRM2
SCHEMBL3055145 0.78 TGFBR1 (0.36) MAPTLMNA
SCHEMBL3061531 0.78 S1PR1 (0.42) CYP3A4CYP2C19PDE10A
SCHEMBL3060438 0.78 CNR2 (0.40) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL3055208 0.78 MAPT (0.48) GRM2MAPTGAAPKMSMN1; SMN2

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-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 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-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRM2 217/4885MAPT 1046/4885GAA 1402/4885

“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.