SCHEMBL3555366

SCHEMBL3555366

Cc1ccn2c(-c3nc(N[C@@H](C)c4ccccc4)ncc3Br)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.41
NTRK1 P04629 2/20 0.41
LCK P06239 2/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
FLT3 P36888 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
IDH1 O75874 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
CDK2 P24941 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRA5 P31644 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
SCHEMBL3548956 0.87 IGF1R (0.45) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3555067 0.84 BRD4 (0.44) IGF1RNTRK1LCKHDAC3HDAC1
SCHEMBL3554558 0.81 MAPK14 (0.49) LCKFLT3IDH1MAPK13MAPK12
SCHEMBL3554499 0.80 IGF1R (0.39) IGF1RNTRK1LCKHDAC3HDAC1
SCHEMBL3551540 0.78 IDH1 (0.39) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3556828 0.76 HDAC6 (0.38) IGF1RNTRK1LCKHDAC3HDAC1
SCHEMBL3551701 0.75 HDAC3 (0.39) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3553523 0.75 PLK1 (0.44) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3552664 0.75 HDAC6 (0.42) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3549577 0.75 CDK2 (0.43) IGF1RNTRK1HDAC3HDAC1HDAC2

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 2168/4885LCK 130/4885

“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.