SCHEMBL406276

SCHEMBL406276

Cc1cc(N)c(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.43
TRPV4 Q9HBA0 2/20 0.41
EGLN2 Q96KS0 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CD44 P16070 1/20 0.32
KDM1A O60341 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
SCHEMBL404670 0.92 EGLN2 (0.39) KHKTRPV4EGLN2TSHRGAA
SCHEMBL5846599 0.83 KHK (0.43) KHKTRPV4EGLN2TSHRCYP3A4
SCHEMBL31267335 0.83 KHK (0.43) KHKTRPV4EGLN2TSHRCYP3A4
SCHEMBL23730334 0.82 TRPV4 (0.46) KHKTRPV4EGLN2TSHRCYP11B1
SCHEMBL404483 0.82 KHK (0.48) KHKTRPV4EGLN2TSHRCYP3A4
SCHEMBL5287616 0.82 TSHR (0.48) EGLN2TSHRCYP3A4MAPK1GAA
SCHEMBL13003845 0.80 TRPV4 (0.56) KHKTRPV4EGLN2TSHRCYP11B1
SCHEMBL6661759 0.80 KHK (0.47) KHKTRPV4EGLN2TSHRCYP3A4
SCHEMBL14932734 0.80 TRPV4 (0.45) KHKTRPV4EGLN2TSHRCYP11B1
SCHEMBL862662 0.76 TRPV4 (0.50) KHKTRPV4EGLN2TSHRCYP11B1

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KHK 2747/4885TRPV4 421/4885EGLN2 953/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KHK 2747/4885TRPV4 421/4885EGLN2 953/4885

“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.