Sugi Predict

Sugi Predict / Compounds / SCHEMBL1372789

SCHEMBL1372789

SCHEMBL1372789

C[C@@H](Nc1cc(N2CCOCC2)ccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 8/20 0.48
▸ NTRK3 Q16288 6/20 0.48
▸ NTRK2 Q16620 6/20 0.48
▸ IGF1R P08069 6/20 0.47
▸ PRKCB P05771 2/20 0.41
▸ INSR P06213 5/20 0.41
▸ ALK Q9UM73 5/20 0.41
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL1374725 0.93 IGF1R (0.55) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL1890753 0.90 IGF1R (0.45) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL1890383 0.90 IGF1R (0.45) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL15327743 0.90 NTRK1 (0.51) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL13857366 0.90 NTRK1 (0.51) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL2025005 0.87 NTRK1 (0.51) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL2025008 0.87 NTRK1 (0.51) NTRK1NTRK3NTRK2IGF1RPRKCB
Hydrochloric Acid SCHEMBL2052545 0.86 NTRK1 (0.50) NTRK1NTRK3NTRK2IGF1RPRKCB
Hydrochloric Acid SCHEMBL2052539 0.86 NTRK1 (0.50) NTRK1NTRK3NTRK2IGF1RPRKCB
SCHEMBL1882934 0.86 IGF1R (0.57) NTRK1NTRK3NTRK2IGF1RINSR

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-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 — — US disclosed
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2011-11-24 — — US disclosed
US-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 — — US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 — — US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 — — EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 — — 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 NTRK1 1363/4885NTRK3 1220/4885NTRK2 2200/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 NTRK1 1363/4885NTRK3 1220/4885NTRK2 2200/4885

“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.