SCHEMBL14315366

SCHEMBL14315366

C[C@@H]1CN(c2nc(C3CC3)c(Oc3ccnc(Cl)c3)cc2C#N)CCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FGFR1 P11362 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14318081 0.90 SCN9A (0.36) KDM4EMEN1KMT2ACASP1CASP7
SCHEMBL14251428 0.90 RET (0.36) KDM4EMEN1KMT2ACASP1CASP7
SCHEMBL14251430 0.90 RET (0.36) KDM4EMEN1KMT2ACASP1CASP7
SCHEMBL14249966 0.79 IDH1 (0.44)
SCHEMBL14315350 0.79 IDH1 (0.35)
SCHEMBL15901365 0.79 IDH1 (0.44)
SCHEMBL17996938 0.79 MAP4K4 (0.39) SUV39H2
SCHEMBL15900889 0.78 IDH1 (0.52)
SCHEMBL20458440 0.78 IDH1 (0.43)
SCHEMBL14250795 0.78 IDH1 (0.52)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO 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-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 HRH4 4468/4885KDM4E 3923/4885MEN1 2066/4885

“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.