SCHEMBL4898776

SCHEMBL4898776

CCc1cc(-c2ccc(N)cc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
JAK2 O60674 3/20 0.43
ROCK2 O75116 3/20 0.43
CDK2 P24941 3/20 0.43
GSK3B P49841 3/20 0.43
AURKB Q96GD4 3/20 0.43
DAPK3 O43293 2/20 0.43
MARK3 P27448 2/20 0.43
LIMK1 P53667 2/20 0.43
CDK5 Q00535 2/20 0.43
ROCK1 Q13464 2/20 0.43
DYRK1A Q13627 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43

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
SCHEMBL12151294 0.84 TDP1 (0.56) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL8418866 0.82 MAPT (0.51) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL14541437 0.82 NOTUM (0.70) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL10274629 0.81 NOTUM (0.68) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL12369730 0.80 CHRNB2 (0.41) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL4544353 0.79 NPC1 (0.56) RAB9AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL14591926 0.76 MAPT (0.59) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL28746964 0.76 CYP1A2 (0.54) RAB9AALDH1A1MAPTKMT2ANPC1
SCHEMBL12369752 0.75 CYP1A2 (0.43) NOTUMTDP1RAB9AL3MBTL1ALDH1A1
SCHEMBL17922502 0.72 NOTUM (0.47) NOTUMTDP1RAB9AL3MBTL1ALDH1A1

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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B NOTUM 1096/4885TDP1 23/4885RAB9A 3875/4885

“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.