SCHEMBL4662736

SCHEMBL4662736

Nc1nccc(-c2ccc3c(c2)CCN3C(=O)[C@@H](N)Cc2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
GFER P55789 1/20 0.45
EIF2AK3 Q9NZJ5 3/20 0.44
DPP4 P27487 3/20 0.43
ROCK1 Q13464 1/20 0.42
LMNA P02545 1/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41

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
SCHEMBL4533143 0.92 PDK1 (0.47) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4525189 0.91 EIF2AK3 (0.47) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4530584 0.91 EIF2AK3 (0.47) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4535767 0.84 MAPT (0.43) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4520686 0.79 CYP11B1 (0.56) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4510983 0.79 CYP11B1 (0.46) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4528719 0.78 NPC1 (0.49) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4530255 0.78 NPC1 (0.49) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL4520355 0.75 MAPT (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10260107 0.73 CYP11B1 (0.53) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA MAPT 236/4885RAB9A 174/4885ALDH1A1 3985/4885

“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.