SCHEMBL1716290

SCHEMBL1716290

FCCNC1CCC(Nc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.67
ROCK1 Q13464 12/20 0.67
CCR2 P41597 5/20 0.56
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ARHGDIA P52565 2/20 0.51
CYP3A4 P08684 1/20 0.51
ULK1 O75385 1/20 0.50

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
SCHEMBL14514385 1.00 ROCK2 (0.67) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL14514384 1.00 ROCK2 (0.67) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL1716642 0.88 ROCK2 (0.67) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL10263409 0.88 ROCK2 (0.67) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL14514380 0.88 ROCK2 (0.67) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL14514432 0.86 ROCK2 (0.72) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514431 0.86 ROCK2 (0.72) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514426 0.85 ROCK2 (0.70) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL14514428 0.85 ROCK2 (0.70) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL1716151 0.85 ROCK2 (0.70) ROCK2ROCK1CCR2KDM4EMEN1

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
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP claimed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US claimed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP claimed
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CCR2 3344/4885

“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.