SCHEMBL3532092

SCHEMBL3532092

CCOCc1ccc2[nH]nc(C=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.37
TTK P33981 3/20 0.35
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
KDM4E B2RXH2 1/20 0.33
AURKA O14965 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAP2K4 P45985 1/20 0.33
NAAA Q02083 1/20 0.32
MAPK8 P45983 2/20 0.32
JAK2 O60674 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL3536794 0.89 GSK3B (0.37) TTKNAAA
SCHEMBL3536445 0.77 TTK (0.58) NTRK1TTKNTRK3NTRK2KDM4E
SCHEMBL27923543 0.75 AURKA (0.37) NTRK1NTRK3NTRK2AURKAAURKB
SCHEMBL25229706 0.74 KDM4E (0.55) NTRK1KDM4EAURKALMNAHSD17B10
SCHEMBL3538836 0.72 PDPK1 (0.42) KDM4EAURKALMNAMAP2K4
SCHEMBL5953047 0.72 MAP2K4 (0.49) KDM4EHSD17B10MAP2K4
SCHEMBL8145174 0.72 ALDH1A1 (0.53) TTKKDM4EHSD17B10
SCHEMBL29953125 0.71 KIF11 (0.47) NTRK1TTKNTRK3NTRK2KDM4E
SCHEMBL3534726 0.71 KIF11 (0.47) NTRK1TTKNTRK3NTRK2KDM4E
SCHEMBL25278552 0.70 NTRK1 (0.55) NTRK1TTKNTRK3NTRK2KDM4E

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-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK NTRK1 1037/4885TTK 444/4885CNR2 4531/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 NTRK1 3714/4885TTK 3185/4885CNR2 2180/4885

“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.