SCHEMBL16023895

SCHEMBL16023895

Brc1ccc(Oc2ccc(C3CC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGLN1 Q9GZT9 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ DHODH Q02127 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SCN5A Q14524 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL5942944 0.84 HAO1 (0.54) HAO1KDM4EMEN1KMT2AEGLN1
SCHEMBL16838788 0.84 NPBWR1 (0.45) HAO1KDM4EMEN1KMT2AEGLN1
SCHEMBL16761850 0.80 ALDH1A1 (0.56) HAO1KDM4EMEN1KMT2AEGLN1
SCHEMBL16838785 0.77 HAO1 (0.49) HAO1KDM4EMEN1KMT2APOLB
SCHEMBL6325952 0.76 KDM4E (0.69) KDM4EMEN1KMT2ATHRBMMP13
SCHEMBL16761723 0.74 ALDH1A1 (0.64) HAO1KDM4EEGLN1MAPTPOLB
SCHEMBL31225142 0.74 KDM4E (0.56) HAO1KDM4EMEN1KMT2APOLB
SCHEMBL15055157 0.74 KDM4E (0.56) HAO1KDM4EMEN1KMT2APOLB
SCHEMBL16023927 0.74 PTGS1 (0.41) HAO1KDM4EMEN1KMT2AEGLN1
SCHEMBL21656857 0.73 MAPT (0.48) EGLN1MAPTPOLBL3MBTL1KCNH2

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 16 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
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 — — EP disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 — — EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 — — EP disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 — — US disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 — — 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-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 — — US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 — — 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-2015094443-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. (US) 2015-06-25 — — WO 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-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 HAO1 3256/4885KDM4E 2252/4885MEN1 3827/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 HAO1 3213/4885KDM4E 2154/4885MEN1 3846/4885
US-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 HAO1 1964/4885KDM4E 3153/4885MEN1 3967/4885

“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.

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