SCHEMBL14217201

SCHEMBL14217201

C[C@H](c1ccc(N2CCCCC2)nc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR2 P34972 9/20 0.43
OGA O60502 3/20 0.41
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIT P10721 1/20 0.39

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 1.00 UBE2T (0.45) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL11990174 0.98 UBE2T (0.46) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL11989555 0.87 HRH4 (0.41) ALDH1A1OGAKDM4E
SCHEMBL11989613 0.86 ALDH1A1 (0.44) ALDH1A1OGAKDM4E
SCHEMBL11989546 0.86 ALDH1A1 (0.44) ALDH1A1OGAKDM4E
SCHEMBL14217156 0.86 ALDH1A1 (0.44) ALDH1A1OGAKDM4E
SCHEMBL11989577 0.85 OGA (0.48) OGA
SCHEMBL14217157 0.84 MAPT (0.50) MAPTALDH1A1LMNAOGAHPGD
SCHEMBL4547927 0.83 CNR2 (0.50) UBE2TMAPTALDH1A1LMNAALOX12
SCHEMBL11989549 0.82 KDM4E (0.48) OGAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
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 (2 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-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 UBE2T 4364/4885MAPT 1722/4885ALDH1A1 3982/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 UBE2T 4364/4885MAPT 1722/4885ALDH1A1 3982/4885

“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.