SCHEMBL6495327

SCHEMBL6495327

CCCCCc1c(CC)nn2c(-c3ccc(C)cc3C)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
THRB P10828 2/20 0.36
TLR8 Q9NR97 1/20 0.36
CRHR1 P34998 4/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
ACVR1 Q04771 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6505224 0.87 CRHR1 (0.50) MAPTTHRBTLR8CRHR1NTRK1
SCHEMBL6494670 0.86 MAPT (0.38) MAPTTHRBCRHR1POLBNPC1
SCHEMBL6496266 0.85 MAPT (0.38) MAPTTHRBCRHR1POLBNPC1
SCHEMBL6495922 0.82 NPC1 (0.50) MAPTCRHR1NPC1EGLN2KDM4E
SCHEMBL6504882 0.79 CRHR1 (0.50) MAPTTHRBCRHR1NPC1L3MBTL1
SCHEMBL6496618 0.78 MAPT (0.38) MAPTTHRBCRHR1POLBNPC1
SCHEMBL6495325 0.78 CRHR1 (0.41) MAPTTHRBCRHR1POLBKMT2A
SCHEMBL6504492 0.78 MAPT (0.37) MAPTTHRBCRHR1POLBKMT2A
SCHEMBL6495627 0.75 MAPT (0.45) MAPTTHRBCRHR1NTRK1PIM1
SCHEMBL6495416 0.68 CRHR1 (0.44) CRHR1

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 3 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-20030139426-A1 Pyrazolopyrimidines as CRF antagonists WILDE RICHARD G (US) 2003-07-24 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 (1 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-20030139426-A1 Pyrazolopyrimidines as CRF antagonists CRHR1, CRHR2, CRH MAPT 2933/4885THRB 460/4885TLR8 3677/4885

“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.