SCHEMBL6783448

SCHEMBL6783448

CCOC(=O)c1cc(C)n(C)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
KMT2A Q03164 1/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL6778686 0.77 DPP4 (0.48) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL4085247 0.77 CNR1 (0.57) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL522136 0.76 KMT2A (0.59) MAPK1MAPTKDM4ETSHRPOLB
SCHEMBL11225504 0.76 CYP4F2 (0.67) MAPK1MAPTKDM4ETSHRBAZ2B
SCHEMBL4080087 0.74 CNR1 (0.59) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL235046 0.74 TSHR (0.60) MAPK1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL1866115 0.74 MAPT (0.50) MAPK1MAPTKDM4ETSHRNPC1
SCHEMBL6698273 0.73 MAPT (0.53) MAPTKDM4EDPP4DPP8DPP9
SCHEMBL14886652 0.73 MAPK1 (0.70) MAPK1MAPTTSHRNPC1RAB9A
SCHEMBL5922344 0.73 MAPT (0.50) MAPK1MAPTKDM4ETSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 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 MAPK1 757/4885MAPT 3449/4885KDM4E 4590/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 MAPK1 852/4885MAPT 3573/4885KDM4E 4575/4885

“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.