SCHEMBL16286129

SCHEMBL16286129

O=c1ccc2ccc(Nc3ccc(N4CCNCC4)c(F)c3)cc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
WEE1 P30291 1/20 0.40
C5AR1 P21730 6/20 0.40
KIF11 P52732 3/20 0.39
CDK1 P06493 3/20 0.38
CDK4 P11802 3/20 0.38
CCNB1 P14635 3/20 0.38
CCND1 P24385 3/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
GAA P10253 1/20 0.38
CHRM5 P08912 1/20 0.37
PAK3 O75914 1/20 0.37
PAK4 O96013 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
PAK1 Q13153 1/20 0.37
PAK2 Q13177 1/20 0.37
PKN1 Q16512 1/20 0.37
PTK2 Q05397 1/20 0.36

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
SCHEMBL16286112 0.88 PTK2 (0.45) TDP1C5AR1KIF11CDK4CCND1
SCHEMBL16285695 0.88 OPRL1 (0.42) WEE1CDK1CDK4CCNB1CCND1
SCHEMBL10192701 0.84 PAK3 (0.52) WEE1CDK1CDK4CCNB1CCND1
SCHEMBL16286108 0.80 TDP1 (0.41) TDP1C5AR1KIF11
SCHEMBL16286110 0.78 TDP1 (0.42) TDP1C5AR1KIF11EPHX2
SCHEMBL16286126 0.78 CDK4 (0.44) TDP1C5AR1CDK4CCND1PTK2
SCHEMBL16285666 0.76 CDK4 (0.42) WEE1CDK1CDK4CCNB1CCND1
SCHEMBL16286111 0.76 IDH2 (0.41) TDP1CCNE1CDK2PTK2
SCHEMBL16286148 0.75 PTK2 (0.42) C5AR1KIF11CDK4CCND1GAA
SCHEMBL16285663 0.74 CDK4 (0.42) WEE1CDK4CCND1CCNE1CDK2

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 TDP1 3534/4885WEE1 4223/4885C5AR1 4677/4885

“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.