SCHEMBL6326650

SCHEMBL6326650

Cc1cc2c(=O)[nH]ccc2cc1NC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.51
ROCK2 O75116 13/20 0.48
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL13455354 0.82 ROCK2 (0.44) ROCK1ROCK2JAK2MAPK14
SCHEMBL13421814 0.79 JAK2 (0.39) ROCK1ROCK2JAK2MAPK14
SCHEMBL1571757 0.75 ROCK2 (0.59) ROCK1ROCK2
SCHEMBL1571758 0.75 ROCK2 (0.59) ROCK1ROCK2
SCHEMBL1572375 0.75 ROCK2 (0.59) ROCK1ROCK2
SCHEMBL8938640 0.75 ROCK1 (0.76) ROCK1ROCK2JAK2JAK1
SCHEMBL17321356 0.74 PARP1 (0.50) ROCK1ROCK2ALDH1A1MAPK14
SCHEMBL3315383 0.74 ROCK2 (0.69) ROCK1ROCK2
SCHEMBL6326653 0.73 ROCK2 (0.72) ROCK1ROCK2
SCHEMBL1571611 0.73 ROCK2 (0.68) ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119193-A1 Novel solid preparation containing block copolymer and anthracycline anticancer agent and process for producing the same SAKURAI, YASUHISA (JP) 2005-06-02 US disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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 (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-20050119193-A1 Novel solid preparation containing block copolymer and anthracycline anticancer agent and process for producing the same TYMP, SLC43A1, SLC1A5 ROCK1 4550/4885ROCK2 4563/4885JAK2 485/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 ROCK1 1604/4885ROCK2 3588/4885JAK2 628/4885

“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.