SCHEMBL3421020

SCHEMBL3421020

CCCCc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n2nccc2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
MAPT P10636 3/20 0.46
CCNT1 O60563 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
TERT O14746 1/20 0.42

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
SCHEMBL7845276 0.87 BRD4 (0.48) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7836822 0.87 CDK7 (0.44) BRD4CCNT1CDK7CDK9CCNH
SCHEMBL7847402 0.84 MEN1 (0.49) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8391492 0.83 SMN1; SMN2 (0.46) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7487239 0.82 MAPT (0.46) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7551103 0.80 MAPT (0.46) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7847494 0.80 CCNT1 (0.40) BRD4MAPTCCNT1CDK7CDK9
SCHEMBL7846049 0.80 CCNT1 (0.39) MAPTCCNT1CDK7CDK9CCNH
SCHEMBL7835000 0.78 MEN1 (0.43) BRD4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7003831 0.75 MEN1 (0.45) BRD4MAPTCCNT1CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP claimed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US claimed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP claimed
JP-10101671-A None JP disclosed
JP-8311068-A None JP disclosed
EP-1404312-B1 CARBAMATE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ORTHO MCNEIL PHARM INC (US) 2010-12-29 EP disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US disclosed
EP-1404312-A1 CARBAMATE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-04-07 EP disclosed
US-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome FARBER LOTHAR (DE) 2003-05-15 US disclosed
WO-2002067922-A1 CARBAMATE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-06 WO disclosed
JP-2002053466-A APOPTOSIS REGULATING AGENT OTSUKA PHARMACEUT FACTORY INC 2002-02-19 JP disclosed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
EP-1107744-A2 USE OF SUBSTANCE P ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME AND/OR FIBROMYALGIA AND USE OF NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000010545-A2 USE OF SUBSTANCE P ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME AND/OR FIBROMYALGIA AND USE OF NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CHRONIC FATIGUE SYNDROME NOVARTIS AG (CH) 2000-03-02 WO disclosed
JP-H10101671-A NITROGEN MONOXIDE SYNTHASE INHIBITOR OTSUKA PHARMACEUT FACTORY INC 1998-04-21 JP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
JP-H08311068-A PYRAZOLO(1,5-A)PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1996-11-26 JP disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D BRD4 183/4885MAPT 4717/4885CCNT1 342/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 BRD4 207/4885MAPT 4635/4885CCNT1 312/4885
US-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome TACR1, NPSR1, NPFFR1 BRD4 3305/4885MAPT 4882/4885CCNT1 2042/4885

“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.