SCHEMBL16285702

SCHEMBL16285702

CC(C)Oc1ccccc1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
CDK4 P11802 6/20 0.45
CCND1 P24385 6/20 0.45
CCND2 P30279 6/20 0.45
CCND3 P30281 6/20 0.45
JAK3 P52333 4/20 0.42
MAP4K1 Q92918 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 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
SCHEMBL16286127 0.92 CDK4 (0.42) BRD4CDK4CCND1CCND2CCND3
SCHEMBL16285677 0.90 JAK2 (0.49) BRD4CDK4CCND1CCND2CCND3
SCHEMBL16285706 0.88 CDK4 (0.48) BRD4CDK4CCND1CCND2CCND3
SCHEMBL16286122 0.87 FGFR4 (0.44) CDK4CCND1CCND2CCND3JAK3
SCHEMBL16285672 0.85 CCND3 (0.47) CDK4CCND1CCND2CCND3JAK3
SCHEMBL16285699 0.84 CDK4 (0.46) CDK4CCND1CCND2CCND3JAK3
SCHEMBL16285692 0.84 CDK4 (0.46) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL16285713 0.84 CDK4 (0.46) CDK4CCND1CCND2CCND3JAK3
SCHEMBL16285685 0.83 FYN (0.47) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192715 0.82 CDK4 (0.67) CDK4CCND1CCND2CCND3JAK3

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 BRD4 469/4885CDK4 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.