SCHEMBL19254700

SCHEMBL19254700

CCc1cc(C#N)cc(OCCOC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
KCNH2 Q12809 2/20 0.35
GAA P10253 1/20 0.33
PGR P06401 1/20 0.33
RECQL P46063 1/20 0.33
EGFR P00533 2/20 0.32
ILK Q13418 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1911330 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPK1
SCHEMBL15506139 0.81 CYP2A6 (0.45) CYP2A6ALDH1A1KCNH2MAPK1
SCHEMBL17640942 0.80 KCNH2 (0.42) ALDH1A1MAPTKCNH2
SCHEMBL12128097 0.79 KCNH2 (0.43) ALDH1A1MAPTKCNH2
SCHEMBL38560 0.78 MAPT (0.54) ALDH1A1KDM4EMAPTGAARECQL
SCHEMBL5223976 0.76 PLA2G2A (0.54) ALDH1A1MAPTRECQL
SCHEMBL18923532 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTKCNH2EGFR
SCHEMBL39013 0.76 MAPT (0.60) ALDH1A1MAPTGAARECQL
SCHEMBL5225023 0.75 MAPT (0.48) ALDH1A1MAPTRECQL
SCHEMBL15720366 0.75 APP (0.37) ALDH1A1KDM4EMAPTRECQLEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2017-08-17 US 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-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA CYP2A6 1068/4885ALDH1A1 715/4885KDM4E 888/4885

“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.