SCHEMBL3784394

SCHEMBL3784394

Nc1cncc(-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.60
GSK3B P49841 7/20 0.60
PIM1 P11309 6/20 0.60
AURKB Q96GD4 5/20 0.60
JAK2 O60674 1/20 0.56
PAK4 O96013 1/20 0.56
KDR P35968 1/20 0.56
CLK1 P49759 2/20 0.55
ROCK1 Q13464 5/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CLK2 P49760 3/20 0.53

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
SCHEMBL9904778 0.78 PIM1 (0.52) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL30117688 0.76 CLK1 (0.61) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL3799521 0.76 CLK1 (0.61) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL3668053 0.75 ROCK2 (1.00) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL18446454 0.74 ROCK2 (0.64) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL25452209 0.74 GSK3B (0.60) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL29354919 0.74 ROCK2 (0.58) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL7716146 0.74 ROCK2 (0.58) ROCK2GSK3BPIM1AURKBJAK2
SCHEMBL18038314 0.72 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20658522 0.72 TRPA1 (0.50) ROCK2GSK3BPIM1AURKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655662-B2 (Indazol-5-yl)-pyrazines and (1,3-dihydro-indol-2-one)-pyrazines for treating glaucoma and controlling intraocular pressure ALCON RESEARCH, LTD. (US) 2010-02-02 US disclosed
EP-1962853-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS Alcon Research, Ltd. (US) 2008-09-03 EP disclosed
WO-2007076360-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)- PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON RESEARCH, LTD. (US) 2007-07-05 WO disclosed
US-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2007-06-28 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-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK1, ROCK2, CIT ROCK2 2/4885GSK3B 1044/4885PIM1 996/4885

“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.