SCHEMBL14499129

SCHEMBL14499129

CCc1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CDK1 P06493 2/20 0.48
KDR P35968 2/20 0.48
AURKA O14965 2/20 0.48
SYK P43405 1/20 0.48
CHRNA7 P36544 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL10971409 0.89 HDAC3 (0.59) ALDH1A1KDM4EPDE4BPDE4DHDAC3
SCHEMBL1735195 0.87 CDK1 (0.53) ALDH1A1KDM4EPDE4BPDE4DHDAC3
SCHEMBL1735380 0.85 CDK1 (0.65) ALDH1A1PDE4BPDE4DHDAC3HDAC1
SCHEMBL1734202 0.85 HDAC3 (0.50) ALDH1A1KDM4EPDE4BPDE4DHDAC3
SCHEMBL10976137 0.84 HDAC3 (0.54) ALDH1A1KDM4EPDE4BPDE4DHDAC3
SCHEMBL14499097 0.84 HDAC3 (0.54) ALDH1A1KDM4EPDE4BPDE4DHDAC3
SCHEMBL1736454 0.83 MCHR1 (0.56) PDE4BPDE4DHDAC3HDAC1HDAC2
SCHEMBL1736584 0.83 CDK1 (0.49) PDE4BPDE4DHDAC3HDAC1HDAC2
SCHEMBL10973669 0.82 ADORA2A (0.53) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4294473 0.81 MCHR1 (0.54) ALDH1A1PDE4BPDE4DHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885PDE4B 327/4885

“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.