SCHEMBL16285709

SCHEMBL16285709

COc1ccc(F)cc1Cn1c(=O)ccc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCND2 P30279 2/20 0.44
CCND3 P30281 2/20 0.44
MAPK8 P45983 1/20 0.44
BRD4 O60885 7/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
NSD2 O96028 1/20 0.41
HTR6 P50406 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
DYRK3 O43781 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
SCHEMBL16285677 0.92 JAK2 (0.49) CDK4CCND1CCND2CCND3BRD4
SCHEMBL16285684 0.90 CDK4 (0.45) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL16285682 0.88 CDK4 (0.45) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL16285704 0.86 CDK4 (0.42) HTR1AHTR1DHTR1BHTR2ACDK4
SCHEMBL16285697 0.85 MAPT (0.51) CDK4CCND1CCND2CCND3POLB
SCHEMBL16285699 0.84 CDK4 (0.46) CDK4CCND1CCND2CCND3NPC1
SCHEMBL10192695 0.84 CDK4 (0.66) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL16285670 0.83 NTRK1 (0.50) CDK4CCND1CCND2CCND3POLB
SCHEMBL16286122 0.83 FGFR4 (0.44) CDK4CCND1CCND2CCND3JAK2
SCHEMBL16286127 0.83 CDK4 (0.42) 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 HTR1A 1117/4885HTR1D 2439/4885HTR1B 960/4885

“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.