SCHEMBL6779032

SCHEMBL6779032

CCOC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2Cl)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MDM2 Q00987 1/20 0.50
MAPT P10636 6/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 5/20 0.45
XBP1 P17861 2/20 0.45
PRKCZ Q05513 1/20 0.45
TDP2 O95551 1/20 0.45
NSD2 O96028 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL6776173 0.77 KDM4E (0.49) TP53MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL6778686 0.76 DPP4 (0.48) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1866115 0.75 MAPT (0.50) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL8290591 0.75 PRKCZ (0.71) MAPTKDM4ESMN1; SMN2POLBHSD17B10
SCHEMBL5922344 0.74 MAPT (0.50) TP53MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL12019616 0.74 ALOX15 (0.47) TP53MAPTKDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11463651 0.74 MAPT (0.53) TP53MDM2MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11455444 0.74 TP53 (0.51) TP53MDM2MAPTKDM4ESMN1; SMN2
SCHEMBL28043446 0.72 NPC1 (0.51) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16344846 0.72 ALOX15 (0.70) MAPTLMNAALOX15

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 TP53 4363/4885MDM2 4306/4885MAPT 3449/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 TP53 4457/4885MDM2 4371/4885MAPT 3573/4885

“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.