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
SCHEMBL2708178 0.76 ALDH1A1 (0.54) MAPTKDM4ESCN10AKCNH2ALDH1A1

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.