SCHEMBL17099366

SCHEMBL17099366

Cc1cncc(Oc2cccc(C=O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRC P12931 1/20 0.41
RHOA P61586 1/20 0.41
IGF1R P08069 3/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL31247642 0.82 KDM4E (0.58) ALDH1A1POLBL3MBTL1SRCIGF1R
SCHEMBL2463239 0.78 IGF1R (0.40) ALDH1A1L3MBTL1SRCIGF1RKDM4E
SCHEMBL16551691 0.78 IGF1R (0.40) ALDH1A1L3MBTL1SRCIGF1RKDM4E
SCHEMBL17623908 0.78 BRAF (0.54) IGF1RKDM4EF10
SCHEMBL2489828 0.77 IGF1R (0.38) ALDH1A1SRCIGF1RMAPTMEN1
SCHEMBL12677967 0.76 HTT (0.50) ALDH1A1L3MBTL1SRCIGF1RKDM4E
SCHEMBL18617334 0.75 JAK2 (0.44) ALDH1A1L3MBTL1IGF1RKDM4ENPC1
SCHEMBL18993106 0.75 KDM4E (0.60) MAOAMAOBALDH1A1POLBL3MBTL1
SCHEMBL20672043 0.75 IGF1R (0.36) ALDH1A1IGF1RKDM4ENPC1MAPT
SCHEMBL18586073 0.74 F10 (0.44) IGF1RMAPTGRM5F10

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-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 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 (3 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885ALDH1A1 3556/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885ALDH1A1 3556/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A MAOA 2038/4885MAOB 1817/4885ALDH1A1 3556/4885

“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.