SCHEMBL3553523

SCHEMBL3553523

C[C@H](Nc1ncc(Br)c(-c2cnc3c(C#N)cccn23)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
RPS6KB1 P23443 2/20 0.40
IGF1R P08069 4/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 2/20 0.37
AR P10275 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
ATP1A1 P05023 3/20 0.35
ATP1B1 P05026 3/20 0.35
ATP1A3 P13637 3/20 0.35
ATP1B2 P14415 3/20 0.35
ATP1A2 P50993 3/20 0.35
ATP1B3 P54709 3/20 0.35
FXYD2 P54710 3/20 0.35

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
SCHEMBL3550669 0.91 PLK1 (0.48) PLK1ALDH1A1HPGDRPS6KB1IGF1R
SCHEMBL3554499 0.86 IGF1R (0.39) RPS6KB1IGF1RSMN1; SMN2NTRK1HDAC3
SCHEMBL3551540 0.85 IDH1 (0.39) RPS6KB1IGF1RNTRK1HDAC3HDAC1
SCHEMBL3546850 0.83 PLK1 (0.47) PLK1ALDH1A1HPGDRPS6KB1IGF1R
SCHEMBL3556828 0.83 HDAC6 (0.38) RPS6KB1IGF1RNTRK1HDAC3HDAC1
SCHEMBL3552664 0.83 HDAC6 (0.42) IGF1RNTRK1ARHDAC3HDAC1
SCHEMBL3551701 0.83 HDAC3 (0.39) RPS6KB1IGF1RNTRK1HDAC3HDAC1
SCHEMBL3556865 0.83 PLK1 (0.46) PLK1ALDH1A1HPGDRPS6KB1KDM4E
SCHEMBL3551627 0.83 PLK1 (0.46) PLK1ALDH1A1HPGDRPS6KB1IGF1R
SCHEMBL3551698 0.82 HDAC3 (0.41) ALDH1A1IGF1RKDM4ENTRK1HDAC3

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 PLK1 1/4885ALDH1A1 4349/4885HPGD 4322/4885

“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.