SCHEMBL16286111

SCHEMBL16286111

O=c1ccc2ccc(Nc3ccc(NC4CCCNC4)cc3)cc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.41
DPP4 P27487 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
CCNT1 O60563 2/20 0.38
CCNK O75909 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
PTK2 Q05397 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 5/20 0.36
FLT3 P36888 4/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL16286108 0.90 TDP1 (0.41) TDP1MKNK1MKNK2
SCHEMBL16286149 0.87 IDH2 (0.38) IDH2DPP4IRAK4CCNT1CCNK
SCHEMBL16286123 0.85 TRPV1 (0.38) PTK2TDP1KMT2A
SCHEMBL16286130 0.84 C5AR1 (0.41) DPP4PTK2TDP1
SCHEMBL10246368 0.83 CDK4 (0.47) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL16286110 0.80 TDP1 (0.42) TDP1MKNK1MKNK2
SCHEMBL16286112 0.80 PTK2 (0.45) CCNE1CDK2PTK2TDP1
SCHEMBL16286129 0.76 TDP1 (0.40) CCNE1CDK2PTK2TDP1
SCHEMBL10246428 0.75 WEE1 (0.44) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL16286126 0.74 CDK4 (0.44) CCNT1CDK9PTK2TDP1

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 1067/4885DPP4 2692/4885IRAK4 3522/4885

“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.