SCHEMBL13974397

SCHEMBL13974397

COCCOc1ccc2nc(-c3ccc(C(=O)Nc4ccc5c(c4)NCC5)cc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
COMT P21964 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CHEK2 O96017 2/20 0.45
FLT3 P36888 1/20 0.45
HPSE Q9Y251 2/20 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
SCHEMBL12790339 0.93 CHEK2 (0.53) ATMMAPTSMN1; SMN2TP53MMP2
SCHEMBL12790323 0.91 ATM (0.52) ATMMAPTSMN1; SMN2TP53MMP2
SCHEMBL13974300 0.88 HDAC6 (0.45) ATMMAPTSMN1; SMN2TP53HDAC6
SCHEMBL12790045 0.87 ATM (0.55) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL13974398 0.85 HDAC6 (0.46) ATMMAPTSMN1; SMN2TP53HDAC6
SCHEMBL8770360 0.84 ATM (0.57) ATMMAPTSMN1; SMN2TP53MMP2
SCHEMBL8770285 0.83 ATM (0.50) ATMMAPTSMN1; SMN2TP53MMP2
SCHEMBL12790090 0.82 ATM (0.43) ATMMAPTSMN1; SMN2TP53MMP2
SCHEMBL12790054 0.82 MAPT (0.53) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL12791510 0.82 MMP2 (0.56) ATMMAPTSMN1; SMN2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ATM 2698/4885MAPT 4411/4885SMN1; SMN2 941/4885

“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.