SCHEMBL3584412

SCHEMBL3584412

FC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.57
ABCG2 Q9UNQ0 5/20 0.56
TGFBR1 P36897 1/20 0.56
PAK4 O96013 4/20 0.55
ROCK2 O75116 3/20 0.53
IDH2 P48735 1/20 0.52
NPY5R Q15761 3/20 0.52
NPY1R P25929 1/20 0.52
EGFR P00533 1/20 0.51
CTSC P53634 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 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
SCHEMBL3582538 0.88 ULK1 (0.66) ULK1TGFBR1PAK4ROCK2NPY5R
SCHEMBL3585093 0.88 ULK1 (0.60) ULK1ABCG2TGFBR1PAK4ROCK2
SCHEMBL3587528 0.85 PAK4 (0.55) ULK1TGFBR1PAK4ROCK2CTSC
SCHEMBL3579380 0.85 ULK1 (0.62) ULK1TGFBR1PAK4ROCK2NPY5R
SCHEMBL3577758 0.85 ULK1 (0.59) ULK1ABCG2TGFBR1PAK4ROCK2
SCHEMBL3581297 0.85 ULK1 (0.59) ULK1ABCG2TGFBR1PAK4ROCK2
SCHEMBL5735883 0.84 ULK1 (0.63) ULK1TGFBR1PAK4ROCK2NPY5R
SCHEMBL13220480 0.83 ROCK2 (0.51) ULK1ABCG2ROCK2IDH2EGFR
SCHEMBL3575384 0.83 SMO (0.57) ULK1TGFBR1PAK4ROCK2NPY5R
SCHEMBL5734274 0.82 TGFBR1 (0.43) ULK1ABCG2TGFBR1PAK4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 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 (4 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ULK1 1612/4885ABCG2 3107/4885TGFBR1 1599/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ULK1 894/4885ABCG2 1193/4885TGFBR1 1926/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ULK1 1612/4885ABCG2 3107/4885TGFBR1 1599/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ULK1 1316/4885ABCG2 4736/4885TGFBR1 644/4885

“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.