SCHEMBL3554499

SCHEMBL3554499

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccccc4)ncc3Br)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
NTRK1 P04629 2/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDH1 O75874 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RPS6KB1 P23443 2/20 0.38
ATP1A1 P05023 3/20 0.37
ATP1B1 P05026 3/20 0.37
ATP1A3 P13637 3/20 0.37
ATP1B2 P14415 3/20 0.37
ATP1A2 P50993 3/20 0.37
ATP1B3 P54709 3/20 0.37
FXYD2 P54710 3/20 0.37
ATP1A4 Q13733 3/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL3551540 0.89 IDH1 (0.39) IGF1RNTRK1HDAC1HDAC6HDAC3
SCHEMBL3548594 0.88 MAPK14 (0.40) HDAC1HDAC6HDAC3HDAC2TP53
SCHEMBL3551921 0.88 TP53 (0.43) IGF1RHDAC1HDAC6HDAC3HDAC2
SCHEMBL3552537 0.88 TP53 (0.39) HDAC1HDAC6HDAC3HDAC2TP53
SCHEMBL3556828 0.87 HDAC6 (0.38) IGF1RNTRK1HDAC1HDAC6HDAC3
SCHEMBL3551237 0.87 TP53 (0.38) HDAC1HDAC6HDAC3HDAC2TP53
SCHEMBL3549226 0.87 HDAC6 (0.39) HDAC1HDAC6HDAC3HDAC2TP53
SCHEMBL3555836 0.87 TP53 (0.38) HDAC1HDAC6HDAC3HDAC2TP53
SCHEMBL3551701 0.86 HDAC3 (0.39) IGF1RNTRK1HDAC1HDAC6HDAC3
SCHEMBL3552664 0.86 HDAC6 (0.42) IGF1RNTRK1HDAC1HDAC6HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A IGF1R 101/4885NTRK1 2168/4885HDAC1 124/4885

“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.