Sugi Predict

Sugi Predict / Compounds / SCHEMBL10217596

SCHEMBL10217596

SCHEMBL10217596

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1ccc(C(=O)NCCCN2CCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 8/20 0.53
▸ L3MBTL3 Q96JM7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ AXL P30530 6/20 0.48
▸ MET P08581 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ATR Q13535 1/20 0.43
▸ AVPR2 P30518 1/20 0.42
▸ AVPR1A P37288 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL488369 0.88 MET (0.55) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217595 0.87 L3MBTL3 (0.56) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217573 0.85 MERTK (0.57) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217572 0.84 MERTK (0.53) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217590 0.82 MERTK (0.52) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10216178 0.81 MET (0.63) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217502 0.81 MET (0.62) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL10217699 0.81 MERTK (0.57) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL30452977 0.81 MET (0.66) MERTKL3MBTL3L3MBTL1AXLMET
SCHEMBL488613 0.81 MET (0.66) MERTKL3MBTL3L3MBTL1AXLMET

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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MERTK 69/4885L3MBTL3 4002/4885L3MBTL1 3602/4885

“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.