Sugi Predict

Sugi Predict / Compounds / SCHEMBL3539742

SCHEMBL3539742

SCHEMBL3539742

Cn1c(-c2n[nH]c3cc(Cl)ccc23)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43

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
SCHEMBL3540321 0.85 MAP2K4 (0.55) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL3537120 0.82 TRPA1 (0.48) KMT2ALMNAMEN1MAPTHSD17B10
SCHEMBL3537456 0.82 ITK (0.53) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL3590351 0.82 TRPA1 (0.46) SMN1; SMN2LMNACYP1A2CYP2C9MAPK1
SCHEMBL3541944 0.81 KDM4E (0.46) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL3540234 0.79 ITK (0.48) KMT2AGSK3BMAP2K4CHEK1CDK2
SCHEMBL3533928 0.79 ADORA1 (0.44) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL3534930 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL3534761 0.78 PTGES (0.48) SMN1; SMN2KMT2AMEN1GSK3BNPC1
SCHEMBL3538529 0.77 FGFR1 (0.51) SMN1; SMN2LMNAMAPTMAPK1HTT

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-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-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK SMN1; SMN2 1141/4885KMT2A 1429/4885LMNA 2670/4885

“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.