SCHEMBL5407599

SCHEMBL5407599

Cc1c(C#N)ccc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
TRPA1 O75762 1/20 0.41
DRD1 P21728 1/20 0.40
IDO1 P14902 2/20 0.40
METAP2 P50579 3/20 0.39
NOS1 P29475 3/20 0.38
AXL P30530 2/20 0.38
MAP4K1 Q92918 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LRRK2 Q5S007 2/20 0.35
GAA P10253 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
SCHEMBL2430327 0.80 TRPA1 (0.42) METTRPA1DRD1IDO1METAP2
SCHEMBL13745163 0.79 NOS1 (0.46) METTRPA1DRD1IDO1METAP2
SCHEMBL2861366 0.79 TRPA1 (0.44) METTRPA1DRD1IDO1METAP2
SCHEMBL4141136 0.78 BRD4 (0.43) METTRPA1DRD1IDO1METAP2
SCHEMBL27051452 0.78 MET (0.39) METTRPA1DRD1IDO1METAP2
SCHEMBL8404436 0.75 IDO1 (0.46) TRPA1IDO1METAP2NOS1AXL
SCHEMBL2427200 0.75 AXL (0.46) METTRPA1METAP2AXL
SCHEMBL18056562 0.75 MET (0.42) METIDO1METAP2NOS1AXL
SCHEMBL30751781 0.74 NOS1 (0.53) METTRPA1IDO1METAP2NOS1
SCHEMBL457549 0.74 NOS1 (0.53) METTRPA1IDO1METAP2NOS1

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
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MET 1502/4885TRPA1 4808/4885DRD1 2527/4885

“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.