SCHEMBL16286134

SCHEMBL16286134

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(CCc5ccccc5C(F)(F)F)c4c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.46
CDK4 P11802 7/20 0.44
CCND1 P24385 7/20 0.44
CCND2 P30279 5/20 0.44
CCND3 P30281 5/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 1/20 0.42
BRD4 O60885 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
CDK11A Q9UQ88 1/20 0.40
EGFR P00533 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CTSC P53634 1/20 0.39

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
SCHEMBL16286126 0.92 CDK4 (0.44) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16285679 0.87 CCND3 (0.46) CDK4CCND1CCND2CCND3CDK9
SCHEMBL16285719 0.84 CDK4 (0.51) CDK4CCND1CCND2CCND3CYP3A4
SCHEMBL16286128 0.82 CDK4 (0.46) PTK2CDK4CCND1CCND2CCND3
SCHEMBL10192711 0.82 CDK4 (0.67) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16285699 0.81 CDK4 (0.46) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16286112 0.81 PTK2 (0.45) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16286125 0.80 CDK4 (0.42) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16286122 0.80 FGFR4 (0.44) PTK2CDK4CCND1CCND2CCND3
SCHEMBL16285672 0.80 CCND3 (0.47) CDK4CCND1CCND2CCND3CDK9

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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A PTK2 476/4885CDK4 2824/4885CCND1 4822/4885

“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.