SCHEMBL9949309

SCHEMBL9949309

NC1CCCC1NC(=O)c1cn[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MMP13 P45452 2/20 0.43
HDAC4 P56524 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 3/20 0.38
MMP7 P09237 1/20 0.36
TDO2 P48775 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL4886377 0.76 SMN1; SMN2 (0.51) ROCK2
SCHEMBL1609860 0.76 CD38 (0.47) ROCK2ROCK1
SCHEMBL22394688 0.76 HDAC4 (0.50) MMP2MMP9CA12CA1CA2
SCHEMBL28037674 0.75 MMP2 (0.52) MMP2MMP9CA12CA1CA2
SCHEMBL22394702 0.73 HDAC4 (0.53) MMP2MMP9CA12CA1CA2
SCHEMBL9701078 0.72 HDAC4 (0.52) MMP2MMP9CA12CA1CA2
SCHEMBL4116189 0.72 HDAC4 (0.52) MMP2MMP9CA12CA1CA2
SCHEMBL4711538 0.72 HDAC4 (0.52) MMP2MMP9CA12CA1CA2
SCHEMBL4760506 0.72 HDAC4 (0.52) MMP2MMP9CA12CA1CA2
SCHEMBL22394634 0.72 L3MBTL1 (0.54) MMP2MMP9CA12CA1CA2

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-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines P2RX4, P2RY4, P2RX5 MMP2 4764/4885MMP9 4729/4885CA12 4648/4885

“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.