SCHEMBL14239253

SCHEMBL14239253

CCC(C)c1ccc(N2CCN(CC)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OGA O60502 5/20 0.41
SMO Q99835 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNA7 P36544 1/20 0.39
PANK3 Q9H999 4/20 0.38
ZAP70 P43403 1/20 0.38

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
SCHEMBL14349220 0.88 KDM4E (0.52) KDM4EGAAHRH3MAPTSMN1; SMN2
SCHEMBL14238591 0.87 KMT2A (0.49) MEN1KMT2ALMNATP53MAPT
SCHEMBL11990209 0.87 KMT2A (0.49) MEN1KMT2ALMNATP53MAPT
SCHEMBL11990130 0.87 KMT2A (0.49) MEN1KMT2ALMNATP53MAPT
SCHEMBL18924652 0.86 MEN1 (0.48) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL14239245 0.85 MEN1 (0.48) MEN1KMT2AHRH3LMNATP53
SCHEMBL18930172 0.85 MEN1 (0.47) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL14217162 0.83 KDM4E (0.48) KDM4EGAAMEN1KMT2AHRH3
SCHEMBL11989549 0.83 KDM4E (0.48) KDM4EGAAMEN1KMT2AHRH3
SCHEMBL14217497 0.82 ALDH1A1 (0.50) KDM4EGAAMEN1KMT2ALMNA

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-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 KDM4E 636/4885GAA 1660/4885MEN1 3294/4885

“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.