SCHEMBL2157173

SCHEMBL2157173

Cc1ccncc1-c1c(Cl)c(C#N)c2n1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP4K1 Q92918 1/20 0.35
ABL1 P00519 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
CYP11B1 P15538 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
SCHEMBL2348458 0.82 CYP11B2 (0.33) ALDH1A1MAPK1MAP4K1CYP11B1CYP11B2
SCHEMBL2158205 0.80 KDM4E (0.45) ABCC1ALDH1A1TSHRKDM4EUSP2
SCHEMBL2157416 0.77 CYP11B2 (0.41) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7946457 0.74 ALDH1A1 (0.42) ABCC1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2157447 0.74 CYP11B2 (0.43) ALDH1A1TSHRKDM4EUSP2MAP4K1
SCHEMBL7955460 0.73 ABCC1 (0.43) ABCC1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7590017 0.72 CYP11B2 (0.44) ABCC1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL7588829 0.71 RXFP1 (0.36) ABCC1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7587234 0.70 ABCC1 (0.44) ABCC1ALDH1A1TSHRKDM4ERECQL
SCHEMBL7960169 0.70 ABCC1 (0.42) ABCC1ALDH1A1CYP1A2CYP2C9CYP2C19

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-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US claimed
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 ABCC1 1336/4885ALDH1A1 74/4885CYP1A2 265/4885

“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.