SCHEMBL967700

SCHEMBL967700

COc1ccc2ccn(-c3c(C=O)c(C)nn3C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.38
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL967587 0.91 ROCK1 (0.44) ROCK1CA2SMN1; SMN2MAOBHTR2C
SCHEMBL4553105 0.89 ROCK1 (0.41) ROCK1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL4554315 0.89 ROCK1 (0.41) ROCK1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL964712 0.85 CA2 (0.46) ROCK1CA2MEN1KMT2AMAOB
SCHEMBL966513 0.85 ALDH1A1 (0.44) ROCK1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL964576 0.85 CA2 (0.46) ROCK1CA2MEN1KMT2AMAOB
SCHEMBL966514 0.85 ALDH1A1 (0.44) ROCK1CA2SMN1; SMN2MEN1KMT2A
SCHEMBL965606 0.83 SMN1; SMN2 (0.45) ROCK1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL966593 0.83 CDC7 (0.40) ROCK1SMN1; SMN2HTR2AHTR2CMAPT
SCHEMBL965949 0.83 NPC1 (0.53) ROCK1SMN1; SMN2MEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ROCK1 2974/4885CA2 466/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ROCK1 3736/4885CA2 3200/4885SMN1; SMN2 4710/4885

“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.