Sugi Predict

Sugi Predict / Compounds / SCHEMBL12892781

SCHEMBL12892781

SCHEMBL12892781

CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2OC(C)(C)C)ncc1Cl

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.91
▸ INSR P06213 8/20 0.91
▸ FGFR1 P11362 2/20 0.91
▸ FGFR2 P21802 2/20 0.91
▸ FGFR4 P22455 2/20 0.91
▸ FGFR3 P22607 2/20 0.91
▸ IGF1R P08069 7/20 0.89
▸ EGFR P00533 4/20 0.89
▸ BMPR1B O00238 2/20 0.89
▸ PLK4 O00444 2/20 0.89
▸ GAK O14976 2/20 0.89
▸ ERN1 O75460 2/20 0.89
▸ STK10 O94804 2/20 0.89
▸ ABL1 P00519 2/20 0.89
▸ LCK P06239 2/20 0.89
▸ FYN P06241 2/20 0.89
▸ FES P07332 2/20 0.89
▸ YES1 P07947 2/20 0.89
▸ HCK P08631 2/20 0.89
▸ ROS1 P08922 2/20 0.89

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
SCHEMBL12780522 0.95 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
Tae-684 SCHEMBL29641017 0.94 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
Tae-684 SCHEMBL282775 0.94 ALK (1.00) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12781735 0.92 ALK (0.88) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12892782 0.90 ALK (0.89) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL15217778 0.90 ALK (0.84) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL24472615 0.89 ALK (0.83) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL24301100 0.89 ALK (0.87) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL12780112 0.89 ALK (0.88) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18843559 0.87 ALK (0.87) ALKINSRFGFR1FGFR2FGFR4

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-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885FGFR1 3601/4885

“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.