SCHEMBL12415697

SCHEMBL12415697

[2H]C(C)(O)c1ccc2c(c1)ncn2-c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12415695 1.00 FGFR1 (0.45) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL2666424 0.91 FGFR1 (0.46) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL2652008 0.91 FGFR1 (0.46) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL8233271 0.91 FGFR1 (0.46) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL2668063 0.88 HPGD (0.52) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL1616888 0.86 FGFR1 (0.46) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL12716015 0.84 FGFR1 (0.44) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL6876932 0.83 MEN1 (0.43) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL1616138 0.82 NPC1 (0.48) FGFR1MEN1KMT2AHPGDSIK1
SCHEMBL2652240 0.80 FGFR1 (0.44) FGFR1MEN1KMT2AHPGDSIK1

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-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 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-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 FGFR1 1006/4885MEN1 3707/4885KMT2A 1841/4885

“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.