SCHEMBL14239245

SCHEMBL14239245

CC[C@H](C)c1ccc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OGA O60502 11/20 0.46
HRH3 Q9Y5N1 5/20 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
SMO Q99835 1/20 0.42

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
SCHEMBL11990209 0.87 KMT2A (0.49) MEN1KMT2AOGALMNATP53
SCHEMBL11990130 0.87 KMT2A (0.49) MEN1KMT2AOGALMNATP53
SCHEMBL14238591 0.87 KMT2A (0.49) MEN1KMT2AOGALMNATP53
SCHEMBL18924652 0.86 MEN1 (0.48) MEN1KMT2AOGALMNATP53
SCHEMBL14239253 0.85 KDM4E (0.50) MEN1KMT2AOGAHRH3LMNA
SCHEMBL18930172 0.85 MEN1 (0.47) MEN1KMT2AOGALMNATP53
SCHEMBL14924078 0.84 OGA (0.50) OGAHRH3
SCHEMBL14217497 0.82 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL22792340 0.82 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL14375620 0.82 MEN1 (0.45) MEN1KMT2AOGALMNATP53

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-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

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 MEN1 3294/4885KMT2A 2258/4885OGA 2912/4885

“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.