SCHEMBL3579474

SCHEMBL3579474

Nc1cccc(N[C@@H]2CCN(C(=O)O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.48
DDX3X O00571 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HCRTR1 O43613 1/20 0.41
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL3579476 1.00 SPR (0.48) SPRDDX3XLMNAKDM4EKMT2A
SCHEMBL3572797 0.85 SPR (0.46) SPRKMT2AALDH1A1GFERNPC1
SCHEMBL594973 0.85 SPR (0.46) SPRKMT2AALDH1A1GFERNPC1
SCHEMBL594972 0.85 SPR (0.46) SPRKMT2AALDH1A1GFERNPC1
SCHEMBL6111608 0.85 SPR (0.57) SPRKDM4ETLR8TLR7NPC1
SCHEMBL5244703 0.85 SPR (0.57) SPRKDM4ETLR8TLR7NPC1
SCHEMBL23360316 0.85 POLB (0.56) SPRLMNAKDM4E
SCHEMBL23360317 0.85 POLB (0.56) SPRLMNAKDM4E
SCHEMBL21856356 0.82 EPHX2 (0.57) LMNAKMT2ARAB9A
SCHEMBL21856361 0.82 EPHX2 (0.57) LMNAKMT2ARAB9A

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
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 SPR 3903/4885DDX3X 864/4885LMNA 290/4885

“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.