SCHEMBL1850375

SCHEMBL1850375

CNc1ncnc(C)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 4/20 0.41
YTHDF2 Q9Y5A9 2/20 0.41
PDPK1 O15530 1/20 0.38
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.33
CSF1R P07333 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K4 O95819 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TYK2 P29597 1/20 0.30

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
SCHEMBL20739934 0.77
SCHEMBL14983681 0.76 YTHDC1 (0.44) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL25398540 0.76 PDPK1 (0.37) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL31614410 0.76 PDPK1 (0.37) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL18520486 0.73 PDPK1 (0.42) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL24344244 0.72 ALDH1A1 (0.36) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL14567010 0.72 YTHDC1 (0.48) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL25949946 0.70
SCHEMBL24262442 0.70 YTHDC1 (0.39) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4
SCHEMBL19006255 0.68 ALDH1A1 (0.41) YTHDC1YTHDF2PDPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2011-08-04 US disclosed
EP-2323734-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR Schering Corporation (US) 2011-05-25 EP disclosed
WO-2010017120-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR SCHERING CORPORATION (US) 2010-02-11 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-20110190247-A1 CYCLOPROPYLCHROMENE DERIVATIVES AS MODULATORS OF THE ALPHA-2C RECEPTOR ADRA2C, ADRB2, ADRA2A YTHDC1 2968/4885YTHDF2 3040/4885PDPK1 2279/4885

“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.