SCHEMBL1355437

SCHEMBL1355437

CCOC(=O)c1ccc(C(=O)c2c(C)nc3ccc(C#N)cn23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 2/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1355310 0.83 KDM4E (0.41) ALDH1A1KDM4EELANEHPGDTP53
SCHEMBL23099653 0.76 KDM4E (0.49) MAPK1ALDH1A1RXFP1KDM4ESMN1; SMN2
SCHEMBL1354686 0.72 ADORA2A (0.46) MAPK1ALDH1A1RXFP1KDM4ESMN1; SMN2
SCHEMBL4178450 0.71 CA12 (0.47) MAPK1ALDH1A1RXFP1KDM4ESMN1; SMN2
SCHEMBL1355427 0.70 ADORA2A (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13633334 0.69 RAB9A (0.68) MAPK1ALDH1A1RXFP1KDM4ESMN1; SMN2
SCHEMBL1353059 0.69 ADORA2A (0.46) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL25327527 0.68 ELANE (0.47) MAPK1ALDH1A1RXFP1KDM4ESMN1; SMN2
SCHEMBL6937621 0.68 CA12 (0.51) ALDH1A1KDM4ESMN1; SMN2GRM5ELANE
SCHEMBL10614568 0.68 CA12 (0.51) ALDH1A1RXFP1KDM4ENPSR1KMT2A

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B MAPK1 2309/4885ALDH1A1 637/4885RXFP1 1336/4885

“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.