SCHEMBL2157447

SCHEMBL2157447

Cc1ccncc1-c1cc(C#N)c2n1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.43
CYP11B1 P15538 8/20 0.43
MAP4K1 Q92918 1/20 0.34
ABL1 P00519 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7953580 0.79 CYP11B1 (0.37) CYP11B2CYP11B1KDM4EALDH1A1HSD17B10
SCHEMBL7590022 0.78 CYP11B2 (0.38) CYP11B2CYP11B1SIGMAR1ALDH1A1
SCHEMBL2157932 0.78 ALDH1A1 (0.40) CYP11B2CYP11B1KDM4EALDH1A1HSD17B10
SCHEMBL2158167 0.76 SIRT3 (0.46) CYP11B2CYP11B1
SCHEMBL2157173 0.74 ABCC1 (0.37) CYP11B2CYP11B1MAP4K1ABL1KDM4E
SCHEMBL7954901 0.73 CYP11B2 (0.40) CYP11B2CYP11B1KDM4EALDH1A1HSD17B10
SCHEMBL7592203 0.73 CNR2 (0.37) CYP11B2CYP11B1KDM4EALDH1A1USP2
SCHEMBL7953649 0.73 CYP11B2 (0.44) CYP11B2CYP11B1ALDH1A1
SCHEMBL7588929 0.70 CYP11B1 (0.42) CYP11B2CYP11B1ALDH1A1L3MBTL1
SCHEMBL17809787 0.68 CYP11B2 (0.41) CYP11B2CYP11B1MAP4K1ABL1GABRA1

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 CYP11B2 164/4885CYP11B1 117/4885MAP4K1 4593/4885

“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.