SCHEMBL4421971

SCHEMBL4421971

O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)[C@@H]2CNC[C@H]2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
HDAC4 P56524 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
TNIK Q9UKE5 1/20 0.39
F10 P00742 1/20 0.38
KMT2A Q03164 1/20 0.38
PORCN Q9H237 3/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CD38 P28907 2/20 0.38
ACP1 P24666 1/20 0.37
HTT P42858 1/20 0.37
ABL1 P00519 1/20 0.37
CYP3A4 P08684 1/20 0.37
BAZ2B Q9UIF8 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
SCHEMBL4421976 1.00 ROCK1 (0.41) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4421978 1.00 ROCK1 (0.41) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4420777 0.91 ROCK1 (0.40) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4413799 0.86 PORCN (0.42) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4413789 0.86 PORCN (0.42) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4413793 0.86 PORCN (0.42) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL13598146 0.82 CD38 (0.40) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL4413884 0.81 PORCN (0.41) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL13743919 0.80 HDAC4 (0.53) ROCK1HDAC4HTR2AHTR2CHTR2B
SCHEMBL13602093 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BKMT2AHTT

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ROCK1 4029/4885HDAC4 3628/4885HTR2A 4724/4885

“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.