SCHEMBL5407412

SCHEMBL5407412

O=C(c1ccc2[nH]ncc2c1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.70
NPC1 O15118 1/20 0.68
ROCK2 O75116 4/20 0.67
ROCK1 Q13464 4/20 0.67
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PRKAB2 O43741 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PRKAG3 Q9UGI9 1/20 0.59
PRKAG2 Q9UGJ0 1/20 0.59
PRKAB1 Q9Y478 1/20 0.59
CCR2 P41597 2/20 0.58
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL16573702 0.82 MAPK14 (1.00) MAPK14NPC1MEN1LMNATSHR
SCHEMBL5411088 0.81 ROCK2 (0.73) ROCK2ROCK1LMNASMN1; SMN2CCR2
SCHEMBL31581176 0.81 HPGD (0.66) ROCK2ALDH1A1DDR1
SCHEMBL5404960 0.81 ROCK2 (0.67) ROCK2ROCK1MAPK1KMT2APRKAA1
SCHEMBL5416737 0.81 ROCK2 (1.00) ROCK2ROCK1TSHRMAPK1KMT2A
SCHEMBL11045581 0.81 MAPK14 (0.72) MAPK14NPC1MEN1LMNATSHR
SCHEMBL5407658 0.80 ROCK2 (0.60) ROCK2ROCK1MAPK1PRKAA1CCR2
SCHEMBL29995820 0.80 HPGD (0.68) NPC1ROCK2SMN1; SMN2ALDH1A1DDR1
SCHEMBL15243010 0.80 HPGD (0.68) NPC1ROCK2SMN1; SMN2ALDH1A1DDR1
SCHEMBL5417164 0.79 ROCK2 (0.67) ROCK2ROCK1MAPK1PRKAA1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
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-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAPK14 156/4885NPC1 837/4885ROCK2 2/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 MAPK14 101/4885NPC1 2205/4885ROCK2 3/4885

“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.