SCHEMBL16023943

SCHEMBL16023943

CC1(C)OB(c2ccc(Oc3ccc(F)cc3)c(CN3CCCCC3)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.46
SOS1 Q07889 2/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17427861 0.82 KDM4E (0.54) KDM4ETDP1L3MBTL1MEN1ALDH1A1
SCHEMBL16023886 0.81 LTA4H (0.42) SCN9ASOS1LPLLIPGKDM4E
SCHEMBL16023896 0.80 LTA4H (0.43) SCN9ALPLLIPGKDM4ESMN1; SMN2
SCHEMBL34461817 0.79 ALDH1A1 (0.44) LPLLIPGKDM4ESMN1; SMN2ROCK1
SCHEMBL21644162 0.78 KDM4E (0.55) LPLLIPGKDM4ESMN1; SMN2ROCK1
SCHEMBL16023945 0.78 PDE4A (0.41) SCN9ALPLLIPGKDM4ESMN1; SMN2
SCHEMBL19211744 0.77 KDM4E (0.52) LPLLIPGKDM4ESMN1; SMN2ROCK1
SCHEMBL1430372 0.76 MEN1 (0.49) KDM4ETDP1L3MBTL1MEN1ALDH1A1
SCHEMBL16023940 0.76 SCN9A (0.53) SCN9ASOS1KDM4ESMN1; SMN2TDP1
SCHEMBL16535166 0.73 KDM4E (0.50) LPLLIPGKDM4ESMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 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 (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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 SCN9A 85/4885SOS1 2157/4885LPL 3516/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 SCN9A 85/4885SOS1 2157/4885LPL 3516/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 SCN9A 86/4885SOS1 2175/4885LPL 3557/4885

“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.