SCHEMBL6581871

SCHEMBL6581871

Cc1c(N)ccc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP12 P39900 1/20 0.38
PARP1 P09874 4/20 0.37
MAP3K5 Q99683 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 2/20 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
SCHEMBL3156088 0.79 PARP1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL29503821 0.79 PARP1 (0.39) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL31455565 0.79 PRKCI (0.44) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL7345542 0.77 ABL1 (0.45) KDM4EMAPTRAD52MMP12PARP1
SCHEMBL1798450 0.76 PARP1 (0.37) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL7348969 0.76 PARP1 (0.37) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL4605903 0.76 MAPT (0.43) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL6142573 0.76 PRKCI (0.41) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL7035022 0.76 PRKCI (0.41) PRKCIKDM4EMAPTRAD52ALDH1A1
SCHEMBL7032602 0.76 PRKCI (0.41) PRKCIKDM4EMAPTRAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP disclosed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
EP-0944603-B1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES PROCTER & GAMBLE (US) 2003-02-19 EP 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-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 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-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-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
US-6066740-A Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-05-23 US disclosed
EP-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO 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 (4 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 PRKCI 2441/4885KDM4E 1828/4885MAPT 4094/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 PRKCI 2310/4885KDM4E 1775/4885MAPT 4095/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 PRKCI 2446/4885KDM4E 2083/4885MAPT 4207/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 PRKCI 2441/4885KDM4E 1828/4885MAPT 4094/4885

“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.