SCHEMBL6778686

SCHEMBL6778686

CCOC(=O)c1c(N)c(-c2ccc(Cl)cc2Cl)n(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
APAF1 O14727 1/20 0.47
SMAD3 P84022 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
PRKCZ Q05513 1/20 0.44
GABRA2 P47869 2/20 0.43

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
SCHEMBL6783448 0.77 MAPK1 (0.51) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL6779032 0.76 TP53 (0.50) KDM4EMAPTLMNAALDH1A1TSHR
SCHEMBL24500641 0.74 TSHR (0.43) DPP4DPP8DPP9APAF1SMAD3
SCHEMBL31678415 0.74 TSHR (0.43) DPP4DPP8DPP9APAF1SMAD3
SCHEMBL4085247 0.74 CNR1 (0.57) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL6698273 0.73 MAPT (0.53) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL8290591 0.73 PRKCZ (0.71) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL6779034 0.73 LMNA (0.46) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL4080087 0.71 CNR1 (0.59) DPP4DPP8DPP9KDM4EMAPT
SCHEMBL5847047 0.70 DPP4 (0.47) DPP4DPP8DPP9KDM4EMAPT

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 6 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
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

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 DPP4 1070/4885DPP8 1496/4885DPP9 936/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 DPP4 1189/4885DPP8 1688/4885DPP9 997/4885

“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.