SCHEMBL16286149

SCHEMBL16286149

O=c1c(-c2ccccc2)cc2ccc(Nc3ccc(NC4CCCNC4)cc3)cc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
PTK2 Q05397 1/20 0.35
CCNK O75909 4/20 0.35
CDK12 Q9NYV4 4/20 0.35
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
DPP4 P27487 1/20 0.35
CDK7 P50613 5/20 0.34
CCNH P51946 5/20 0.34
MNAT1 P51948 5/20 0.34
CHEK1 O14757 2/20 0.34
FLT3 P36888 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL16286111 0.87 IDH2 (0.41) IDH2IRAK4PTK2CCNKCDK12
SCHEMBL10246428 0.84 WEE1 (0.44) PTK2CCNKCDK12CCNT1CDK9
SCHEMBL16286148 0.82 PTK2 (0.42) PTK2KIF11
SCHEMBL15788015 0.77 PTK2 (0.43) PTK2CCNKCDK12CCNT1CDK9
SCHEMBL16286108 0.77 TDP1 (0.41) KIF11
SCHEMBL16286147 0.77 BTK (0.50) PTK2KIF11
SCHEMBL10246368 0.74 CDK4 (0.47) PTK2CCNKCDK12CCNT1CDK9
SCHEMBL14866053 0.74 WEE1 (0.43) PTK2CHEK1
SCHEMBL16286123 0.73 TRPV1 (0.38) PTK2KMT2AKIF11
SCHEMBL14681973 0.72 STK4 (0.46)

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 IDH2 1067/4885IRAK4 3522/4885PTK2 476/4885

“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.