SCHEMBL315943

SCHEMBL315943

COC1CCN(c2cc(C#N)nc(-c3ccccc3)c2F)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FASN P49327 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP30 Q70CQ3 4/20 0.37
GRIA1 P42261 3/20 0.36
LRRK2 Q5S007 2/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NAMPT P43490 1/20 0.35
SYK P43405 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL316367 0.80 HPGD (0.45) HPGDGRIA1NAMPT
SCHEMBL24891365 0.78 P2RY12 (0.46) HPGDALDH1A1KDM4ESMN1; SMN2USP30
SCHEMBL316452 0.68 PDE1B (0.33) GRIA1SYKNTSR1
SCHEMBL3601247 0.67 AR (0.57)
SCHEMBL15676577 0.67 NOTUM (0.42) KDM4ESMN1; SMN2USP30
SCHEMBL30149942 0.67 NOTUM (0.42) KDM4ESMN1; SMN2USP30
SCHEMBL317654 0.66 SMN1; SMN2 (0.46) HPGDALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL20073529 0.66 TYK2 (0.42) FASNUSP30
Nitrogen SCHEMBL11221729 0.66 USP30 (0.43) USP30NTSR1
SCHEMBL13486520 0.65 NOTUM (0.50) USP30NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 HPGD 1203/4885ALDH1A1 978/4885KDM4E 3164/4885

“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.