SCHEMBL16285692

SCHEMBL16285692

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5ccccc5Cl)c4c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.46
CCND1 P24385 5/20 0.46
CCND2 P30279 5/20 0.46
CCND3 P30281 5/20 0.46
SRC P12931 4/20 0.46
FGFR1 P11362 2/20 0.46
FYN P06241 1/20 0.44
WEE1 P30291 4/20 0.43
KDM1A O60341 1/20 0.43
ALK Q9UM73 1/20 0.43
LCK P06239 2/20 0.42
KDR P35968 2/20 0.42
KCNH2 Q12809 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16285672 0.89 CCND3 (0.47) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16285708 0.89 CDK4 (0.47) CDK4CCND1CCND2CCND3SRC
SCHEMBL16285699 0.88 CDK4 (0.46) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16285713 0.88 CDK4 (0.46) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16285681 0.88 FYN (0.56) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285677 0.87 JAK2 (0.49) CDK4CCND1CCND2CCND3FYN
SCHEMBL16285685 0.87 FYN (0.47) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16286109 0.86 JAK2 (0.47) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16285710 0.86 WEE1 (0.46) CDK4CCND1CCND2CCND3SRC
SCHEMBL16286126 0.86 CDK4 (0.44) CDK4CCND1CCND2CCND3SRC

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 2 patents. 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
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 CDK4 2824/4885CCND1 4822/4885CCND2 4718/4885

“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.