Sugi Predict

Sugi Predict / Compounds / SCHEMBL3542920

SCHEMBL3542920

SCHEMBL3542920

Cn1c(-c2n[nH]c3ccc(OCc4ccccc4)cc23)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ TTK P33981 2/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ FGFR1 P11362 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ MAOB P27338 3/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MAP2K4 P45985 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ MAPKAPK3 Q16644 1/20 0.39
▸ MAPK6 Q16659 1/20 0.39
▸ AS3MT Q9HBK9 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38

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
SCHEMBL3546038 0.93 PTGES (0.47) PTGESTTKNTRK1MEN1NPC1
SCHEMBL3538588 0.87 MAP2K4 (0.39) TTKFGFR1ABL1FLT1MAPK1
SCHEMBL3538596 0.85 ABL1 (0.44) PTGESABL1SRD5A2CNR2
SCHEMBL3538887 0.84 BRAF (0.37) TTKNTRK1FGFR1ABL1FLT1
SCHEMBL3542562 0.82 BRAF (0.39) TTKABL1MAPK1MAP2K4MAPKAPK2
SCHEMBL3541984 0.82 ABL1 (0.42) ABL1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL3534392 0.82 BRAF (0.42) FGFR1ABL1FLT1MAPK1MAP2K4
SCHEMBL3532970 0.81 CACNA1D (0.42) FGFR1ABL1FLT1MAPK1MAP2K4
SCHEMBL3536898 0.81 BRAF (0.41) FGFR1ABL1FLT1MAPK1MAP2K4
SCHEMBL3535847 0.81 TRPV1 (0.42) FGFR1ABL1FLT1MAPK1MAP2K4

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 PTGES 4588/4885TTK 444/4885NTRK1 1037/4885

“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.