Sugi Predict

Sugi Predict / Compounds / SCHEMBL3671681

SCHEMBL3671681

SCHEMBL3671681

CNCC(=O)N(C)c1n[nH]c2ccc(-c3ccn[nH]3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.50
▸ ITK Q08881 1/20 0.37
▸ LRRK2 Q5S007 4/20 0.37
▸ CD74 P04233 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ TTK P33981 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAP2 P11137 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL3675189 0.83 DYRK1A (0.52) ITKWNT1DYRK1AGSK3BPIM1
SCHEMBL3670131 0.82 DYRK1A (0.51) WNT1DYRK1AGSK3B
SCHEMBL16241349 0.80 JAK2 (0.50) JAK2ITKLRRK2CD74MIF
SCHEMBL3667833 0.80 CDC7 (0.38) JAK2WNT1DYRK1ATTKMAPK8
SCHEMBL3665797 0.79 GSK3B (0.54) DYRK1AGSK3B
SCHEMBL16241348 0.78 JAK2 (0.50) JAK2LRRK2CD74MIFWNT1
SCHEMBL3671890 0.75 CDC7 (0.52) JAK2DYRK1AMAPK8GSK3AGSK3B
SCHEMBL3799220 0.74 AOC3 (0.46) JAK2LRRK2WNT1DYRK1AGSK3B
SCHEMBL3671680 0.73 GSK3B (0.55) JAK2ITKDYRK1AMAPK8GSK3A
SCHEMBL4291662 0.71 CDC7 (0.46) JAK2WNT1DYRK1AMAPK8GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 — — US claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 — — US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 — — US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 — — US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 — — EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 — — US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 — — 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 JAK2 102/4885ITK 692/4885LRRK2 592/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 JAK2 102/4885ITK 692/4885LRRK2 592/4885

“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.