Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538401

SCHEMBL3538401

SCHEMBL3538401

C[C@@H]1CN(c2ccc(N)c(N(C=O)c3n[nH]c4ccccc34)c2)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.37
▸ PRKDC P78527 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ITK Q08881 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LRRK2 Q5S007 10/20 0.33
▸ SLC28A2 O43868 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3534329 0.85 MAPT (0.39) NTRK1PRKDCALDH1A1GAANPSR1
SCHEMBL628902 0.75 KDM4E (0.39) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL6597125 0.74 KDM4E (0.45) ALDH1A1KDM4EGAALRRK2TTK
SCHEMBL6598902 0.69 GAA (0.39) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL23536715 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EGAALRRK2HPGD
SCHEMBL23536670 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EGAALRRK2HPGD
SCHEMBL27732388 0.66 KDM4E (0.48) ALDH1A1KDM4EGAALRRK2TTK
SCHEMBL6592039 0.65 FGFR1 (0.70) NTRK1ITKCLK2CLK4
SCHEMBL3533346 0.65 FGFR1 (0.70) NTRK1ITKCLK2CLK4
SCHEMBL6597236 0.65 KDM4E (0.38) ALDH1A1KDM4EGAATTKHPGD

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 6 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-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 1037/4885PRKDC 50/4885ALDH1A1 1562/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 NTRK1 3714/4885PRKDC 623/4885ALDH1A1 618/4885

“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.