SCHEMBL17782875

SCHEMBL17782875

Cc1[c]cc2nc(-c3cccc(F)c3)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
MGAM O43451 2/20 0.59
SI P14410 2/20 0.59
MGAM2 Q2M2H8 2/20 0.59
GUSB P08236 1/20 0.51
SCD O00767 1/20 0.49
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP11B1 P15538 1/20 0.45
KDR P35968 2/20 0.44
MET P08581 1/20 0.44

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
SCHEMBL16719399 0.78 GAA (0.51) GAAMGAMSIMGAM2GUSB
SCHEMBL24075328 0.77 KDM4E (0.62) GAAMGAMSIMGAM2GUSB
SCHEMBL4122566 0.75 NPC1 (0.68) GAAMGAMSIMGAM2KDM4E
SCHEMBL700482 0.75 GAA (0.51) GAAMGAMSIMGAM2GUSB
SCHEMBL26597187 0.73 MMP13 (0.62) GAAMGAMSIMGAM2SCD
SCHEMBL30104615 0.70 ALDH1A1 (0.68) GAAMGAMSIMGAM2SCD
SCHEMBL3333857 0.70 ALDH1A1 (0.54) GAAMGAMSIMGAM2GUSB
SCHEMBL7270897 0.70 CYP11B1 (0.58) GAAMGAMSIMGAM2GUSB
SCHEMBL31289464 0.70 MEN1 (0.61) GAAMGAMSIMGAM2GUSB
SCHEMBL698248 0.70 MGAM (0.56) GAAMGAMSIMGAM2GUSB

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-10202370-B2 Benzimidazole derivatives as selective proteine kinase inhibitors AB SCIENCE (FR) 2019-02-12 US disclosed
US-20160152608-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEINE KINASE INHIBITORS AB SCIENCE (FR) 2016-06-02 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 (2 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-10202370-B2 Benzimidazole derivatives as selective proteine kinase inhibitors KIT, CHUK, CSNK1E GAA 1013/4885MGAM 3422/4885SI 2371/4885
US-20160152608-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEINE KINASE INHIBITORS KIT, CHUK, CSNK1E GAA 1013/4885MGAM 3422/4885SI 2371/4885

“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.