SCHEMBL16998697

SCHEMBL16998697

FCc1c(F)cncc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
PBRM1 Q86U86 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL10079569 0.74 CYP11B2 (0.38) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL844970 0.74 KCNQ2 (0.35) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL14157127 0.74 KCNQ2 (0.35) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL14879606 0.74 LOXL2 (0.48) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL844046 0.74 KCNQ2 (0.35) KCNQ2ADRA1DADRA1AADRA1BKCNH2
Hydrochloric Acid SCHEMBL18422121 0.72 KCNQ2 (0.34) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL26476245 0.69 KDM4E (0.34) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL14920920 0.69 CYP11B1 (0.40) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL21736827 0.67 CYP11B2 (0.36) KCNQ2ADRA1DADRA1AADRA1BKCNH2
SCHEMBL13615074 0.67 TAAR1 (0.44)

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-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP KCNQ2 1050/4885ADRA1D 3447/4885ADRA1A 2833/4885

“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.