SCHEMBL11990174

SCHEMBL11990174

C[C@H](c1ccc(N2CCCC2)nc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.46
MAPT P10636 2/20 0.43
OGA O60502 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 8/20 0.40
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL14217158 0.98 UBE2T (0.45) UBE2TMAPTOGAALDH1A1LMNA
SCHEMBL14217201 0.98 UBE2T (0.45) UBE2TMAPTOGAALDH1A1LMNA
SCHEMBL11989555 0.89 HRH4 (0.41) OGAALDH1A1SMN1; SMN2
SCHEMBL14217156 0.88 ALDH1A1 (0.44) OGAALDH1A1SMN1; SMN2
SCHEMBL11989613 0.88 ALDH1A1 (0.44) OGAALDH1A1SMN1; SMN2
SCHEMBL11989546 0.88 ALDH1A1 (0.44) OGAALDH1A1SMN1; SMN2
SCHEMBL11989577 0.86 OGA (0.48) OGA
SCHEMBL14217157 0.85 MAPT (0.50) MAPTOGAALDH1A1LMNASMN1; SMN2
SCHEMBL14217162 0.84 KDM4E (0.48) OGA
SCHEMBL11989549 0.84 KDM4E (0.48) OGA

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-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 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-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 UBE2T 4377/4885MAPT 1661/4885OGA 2822/4885

“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.