SCHEMBL836159

SCHEMBL836159

CSc1nnc(-c2ccccc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ PPARG P37231 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ XDH P47989 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RECQL P46063 1/20 0.44

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
SCHEMBL835973 0.83 MAPK14 (0.48) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL10436160 0.77 NPC1 (0.65) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL9331958 0.74 L3MBTL1 (0.53) L3MBTL1KDM4ENPC1RAB9APPARG
SCHEMBL7322868 0.74 NPC1 (1.00) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL2901740 0.73 NPC1 (0.65) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL2908034 0.71 ALDH1A1 (0.48) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL10981729 0.71 LMNA (0.55) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL16772576 0.70 RXFP1 (0.95) KDM4EPPARGRXFP1NCOR2ALDH1A1
SCHEMBL836636 0.69 NPC1 (0.59) L3MBTL1KDM4EMAPK1NPC1RAB9A
SCHEMBL7318431 0.69 PARP1 (0.56) L3MBTL1KDM4EMAPK1NPC1RAB9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 — — US disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 — — US disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 — — US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 — — US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 — — US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 — — US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 — — US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 — — US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 — — US disclosed
EP-1874761-B1 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA SA (FR) 2010-08-18 — — EP disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 — — US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 — — EP disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 — — US disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 — — WO disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 — — WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 — — US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 — — US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 — — US disclosed
EP-1874761-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Aventis Pharma S.A. (FR) 2008-01-09 — — EP disclosed
WO-2006111662-A2 4H-1,2,4-TRIAZIN-5-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS AVENTIS PHARMA S.A. (FR) 2006-10-26 — — 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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET L3MBTL1 1639/4885KDM4E 857/4885MAPK1 216/4885
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R L3MBTL1 4408/4885KDM4E 3600/4885MAPK1 4247/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET L3MBTL1 1639/4885KDM4E 857/4885MAPK1 216/4885

“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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