SCHEMBL521629

SCHEMBL521629

CC(C)(C)c1nc2ccc(N)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.68
▸ KDM4E B2RXH2 10/20 0.68
▸ SCN10A Q9Y5Y9 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ ALDH1A1 P00352 9/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MEN1 O00255 9/20 0.54
▸ KMT2A Q03164 9/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.54
▸ CACNA1B Q00975 1/20 0.54
▸ APBA1 Q02410 1/20 0.54
▸ GAA P10253 9/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ GLA P06280 5/20 0.53
▸ GFER P55789 3/20 0.53
▸ RECQL P46063 3/20 0.53
▸ HPGD P15428 6/20 0.50
▸ POLB P06746 5/20 0.50

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
SCHEMBL7028984 0.86 KDM4E (0.50) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL521212 0.82 MAPT (0.97) MAPTKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3269719 0.80 ALDH1A1 (0.58) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL846652 0.80 SCN10A (0.78) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16599615 0.79 MAPT (0.73) MAPTKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18659837 0.79 ALDH1A1 (0.56) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL10248233 0.79 ALDH1A1 (0.61) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL10220066 0.79 ALDH1A1 (0.56) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL846648 0.77 KDM4E (0.56) MAPTKDM4ESCN10AKCNH2ALDH1A1
SCHEMBL10220063 0.76 CYP2E1 (0.61) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 — — EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 — — US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 — — US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 — — US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 — — US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 — — US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 — — US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 — — US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 — — US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 — — US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 — — US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 — — EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 — — EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 — — 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 (5 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4094/4885KDM4E 1828/4885SCN10A 444/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4095/4885KDM4E 1775/4885SCN10A 440/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 MAPT 4207/4885KDM4E 2083/4885SCN10A 518/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4094/4885KDM4E 1828/4885SCN10A 444/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MAPT 3109/4885KDM4E 192/4885SCN10A 880/4885

“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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