SCHEMBL6778296

SCHEMBL6778296

N#CC(N)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ESR1 P03372 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRB1 P18505 2/20 0.37
GABRB2 P47870 2/20 0.37
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28306688 0.82 ALDH1A1 (0.45) LMNATP53HTTALDH1A1GAA
SCHEMBL6077980 0.81 LMNA (0.44) LMNATP53HTTALDH1A1GAA
SCHEMBL2838694 0.81 LMNA (0.40) LMNATP53HTTALDH1A1GAA
SCHEMBL28351852 0.80 TP53 (0.57) LMNATP53HTTALDH1A1GAA
Hydrochloric Acid SCHEMBL6079126 0.79 LMNA (0.43) LMNATP53HTTALDH1A1GAA
SCHEMBL7784770 0.76 TP53 (0.68) LMNATP53HTTALDH1A1GAA
SCHEMBL1571149 0.76 ALDH1A1 (0.49) LMNATP53HTTALDH1A1GAA
SCHEMBL2863135 0.75 ALDH1A1 (0.46) LMNAALDH1A1MAPTIDO1TDO2
SCHEMBL2245671 0.75 ALDH1A1 (0.46) LMNAALDH1A1MAPTIDO1TDO2
Hydrochloric Acid SCHEMBL11762298 0.73 ALDH1A1 (0.54) LMNATP53HTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 WO disclosed
US-6734185-B2 Pyrrolo[3,4-d]pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-05-11 US disclosed
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BAKTHAVATCHALAM RAJAGOPAL (US) 2003-11-27 US disclosed
US-6630476-B2 For therapy of anxiety, depression, and other psychiatric, neurological disorders, immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-07 US disclosed
EP-1301513-A2 PYRROLO 3,4-d]PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2003-04-16 EP disclosed
US-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 US disclosed
WO-2002004453-A2 PYRROLO[3,4-d]PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
US-6015774-A Pyrazin-2-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 US 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-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 LMNA 4602/4885TP53 4363/4885HTT 3622/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 LMNA 4510/4885TP53 4457/4885HTT 3765/4885

“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.