SCHEMBL16285704

SCHEMBL16285704

COc1cccc(F)c1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CCND2 P30279 3/20 0.42
CCND3 P30281 3/20 0.42
KDM1A O60341 1/20 0.42
MAP4K1 Q92918 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
BRD4 O60885 6/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40

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) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16285705 0.88 CDK4 (0.44) CDK4CCND1CCND2CCND3MAP4K1
SCHEMBL16285707 0.88 CDK4 (0.44) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16285694 0.88 WEE1 (0.46) CDK4CCND1CCND2CCND3KDM1A
SCHEMBL16285709 0.86 HTR1A (0.46) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16286128 0.86 CDK4 (0.46) CDK4CCND1CCND2CCND3MAP4K1
SCHEMBL16285703 0.86 CDK4 (0.42) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16285677 0.85 JAK2 (0.49) CDK4CCND1CCND2CCND3KDM1A
SCHEMBL16285699 0.83 CDK4 (0.46) CDK4CCND1CCND2CCND3KDM1A
SCHEMBL16285720 0.83 CDK4 (0.44) CDK4CCND1CCND2CCND3BRD4

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.