SCHEMBL6505513

SCHEMBL6505513

CCc1nn2c(-c3ccc(Cl)cc3Cl)ccnc2c1C(C)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 1/20 0.45
EGLN2 Q96KS0 1/20 0.41
MAPT P10636 1/20 0.38
CRHR1 P34998 1/20 0.37

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
SCHEMBL6494394 0.90 NPC1 (0.50) NPC1KDM4EEGLN2MAPTCRHR1
SCHEMBL6494387 0.89 NPC1 (0.49) NPC1KDM4EEGLN2MAPTCRHR1
SCHEMBL6506302 0.88 NPC1 (0.48) NPC1KDM4EEGLN2CRHR1
SCHEMBL6495917 0.88 NPC1 (0.49) NPC1KDM4EEGLN2MAPTCRHR1
SCHEMBL6506300 0.87 NPC1 (0.47) NPC1KDM4EEGLN2
SCHEMBL6505589 0.87 NPC1 (0.47) NPC1KDM4EEGLN2CRHR1
SCHEMBL6505240 0.87 NPC1 (0.46) NPC1KDM4EEGLN2
SCHEMBL6497176 0.86 NPC1 (0.46) NPC1KDM4EEGLN2MAPTCRHR1
SCHEMBL7052095 0.86 NPC1 (0.48) NPC1KDM4EEGLN2MAPTCRHR1
SCHEMBL6505585 0.86 NPC1 (0.46) NPC1KDM4EEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US claimed
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-20030139426-A1 Pyrazolopyrimidines as CRF antagonists WILDE RICHARD G (US) 2003-07-24 US disclosed
WO-2000059908-A2 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 NPC1 239/4885KDM4E 4617/4885EGLN2 2016/4885
US-20030139426-A1 Pyrazolopyrimidines as CRF antagonists CRHR1, CRHR2, CRH NPC1 1126/4885KDM4E 4339/4885EGLN2 1629/4885

“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.