SCHEMBL6508549

SCHEMBL6508549

CCOC(=O)C(C#N)C(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10535054 0.87 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL23130401 0.82 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL7454074 0.82 KMT2A (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL411806 0.81 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925024 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL2783538 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925027 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL6925032 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL13858310 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL7706526 0.78 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1TSHRKMT2A

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 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 (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 SMN1; SMN2 1074/4885L3MBTL1 3853/4885ALDH1A1 852/4885

“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.