SCHEMBL6793252

SCHEMBL6793252

N#Cc1cc(N)cc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MCL1 Q07820 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 2/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL31357932 0.79 AHR (0.47) IMPDH2IMPDH1IKBKBCHUKMCL1
SCHEMBL1420429 0.79 AHR (0.47) IMPDH2IMPDH1IKBKBCHUKMCL1
SCHEMBL18876088 0.78 IMPDH2 (0.42) IMPDH2IMPDH1KDM4EIKBKBCHUK
SCHEMBL19611745 0.78 AHR (0.46) IMPDH2IMPDH1IKBKBCHUKMCL1
SCHEMBL25239348 0.78 AHR (0.46) IMPDH2IMPDH1KDM4EIKBKBCHUK
SCHEMBL16815127 0.74 IKBKB (0.35) IKBKBCHUKGFERRIPK1
SCHEMBL18876116 0.74 IMPDH2 (0.39) IMPDH2IMPDH1KDM4EALDH1A1IKBKB
SCHEMBL18876051 0.74 IMPDH2 (0.39) IMPDH2IMPDH1IKBKBCHUKMCL1
SCHEMBL18876113 0.74 MCL1 (0.43) IMPDH2IMPDH1ALDH1A1IKBKBCHUK
SCHEMBL15970869 0.73 XDH (0.44) IMPDH2IMPDH1KDM4EALDH1A1IKBKB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723741-B2 ANALGESICS, SEDATIVES, ANESTHETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-20 US disclosed
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-05 US disclosed
US-6498177-B2 ALPHA 2 ADRENERGIC RECEPTOR AGONIST; ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-24 US disclosed
US-20020049239-A1 Novel indole and benzothiazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-04-25 US disclosed
US-6303643-B1 THERAPY OF MIGRAINE HEADACHE, HYPERTENSION, ALCOHOL WITHDRAWAL, DRUG ADDICTION, RHEUMATOID ARTHRITIS, PRESBYOPIA, ISCHEMIC PAIN, SPASTICITY, DIARRHEA, NASAL CONGESTION, AND URINARY INCONTINENCE BY ADMINISTERING BENZOTHIAZOLE DERIVATIVE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-16 US disclosed
EP-0900080-A4 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 2000-12-13 EP disclosed
US-6159998-A Substituted indoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
US-6040451-A USED AS ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-21 US disclosed
US-5948804-A ANAESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-07 US disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 EP disclosed
US-5677321-A ANESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-10-14 US disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 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 (2 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-20020049239-A1 Novel indole and benzothiazole derivatives ADRB2, ADRB1, CNR2 IMPDH2 581/4885IMPDH1 946/4885KDM4E 1455/4885
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof ADRB2, BDKRB2, ADRB1 IMPDH2 573/4885IMPDH1 1012/4885KDM4E 2054/4885

“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.