SCHEMBL16286128

SCHEMBL16286128

CN1CCN(c2ccc(Nc3ccc4ccc(=O)n(Cc5c(F)cccc5C(F)(F)F)c4c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.46
CCND1 P24385 8/20 0.46
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
CDK6 Q00534 2/20 0.46
CDK11A Q9UQ88 2/20 0.46
CCND2 P30279 5/20 0.42
CCND3 P30281 5/20 0.42
BRD4 O60885 2/20 0.41
MAP4K1 Q92918 1/20 0.40
PTK2 Q05397 1/20 0.40
EGFR P00533 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
CTSC P53634 2/20 0.40
WEE1 P30291 1/20 0.39
LCK P06239 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
SCHEMBL16285701 0.92 CDK4 (0.47) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16285705 0.88 CDK4 (0.44) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16285694 0.88 WEE1 (0.46) CDK4CCND1CCND2CCND3CTSC
SCHEMBL16285707 0.88 CDK4 (0.44) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16286126 0.86 CDK4 (0.44) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16285703 0.86 CDK4 (0.42) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16285704 0.86 CDK4 (0.42) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16285699 0.83 CDK4 (0.46) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL16285720 0.83 CDK4 (0.44) CDK4CCND1CCNT1CDK9CDK6
SCHEMBL10192698 0.82 CDK4 (0.65) CDK4CCND1CCND2CCND3EGFR

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 CDK4 2824/4885CCND1 4822/4885CCNT1 4745/4885

“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.