SCHEMBL19858905

SCHEMBL19858905

COc1ccc(Nc2ccccc2-c2cn[nH]c2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.48
SLK Q9H2G2 1/20 0.48
ROCK2 O75116 9/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
PTK2 Q05397 2/20 0.47
AURKA O14965 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
TTK P33981 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ROCK1 Q13464 6/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL19858913 0.82 RPS6KA2 (0.49) ROCK2PTK2AURKACCNA2CDK2
SCHEMBL19858911 0.80 AURKA (0.52) STK10SLKROCK2MAPTSMN1; SMN2
SCHEMBL2581867 0.77 METAP2 (0.53) ROCK2MAPTROCK1GAAALDH1A1
SCHEMBL10784214 0.73 ALDH1A1 (0.57) MAPTSMN1; SMN2PTK2KDM4EMEN1
SCHEMBL10784705 0.72 GAA (0.57) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL12492054 0.72 TTK (0.80) AURKACCNA2CDK2TTK
SCHEMBL17276860 0.70 AKT2 (0.56) ROCK2MAPTROCK1GAAALDH1A1
SCHEMBL10785269 0.70 GAA (0.70) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7261506 0.69 ADRA1D (0.48) ROCK2PTK2AURKAJAK2JAK3
SCHEMBL1164899 0.68 ROCK2 (0.50) ROCK2NPC1RAB9AROCK1

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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA STK10 352/4885SLK 622/4885ROCK2 4/4885

“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.