Sugi Predict

Sugi Predict / Compounds / SCHEMBL12781735

SCHEMBL12781735

SCHEMBL12781735

CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.88
▸ INSR P06213 8/20 0.88
▸ IGF1R P08069 7/20 0.88
▸ EGFR P00533 4/20 0.88
▸ FGFR1 P11362 2/20 0.88
▸ FGFR2 P21802 2/20 0.88
▸ FGFR4 P22455 2/20 0.88
▸ FGFR3 P22607 2/20 0.88
▸ BMPR1B O00238 2/20 0.88
▸ PLK4 O00444 2/20 0.88
▸ GAK O14976 2/20 0.88
▸ ERN1 O75460 2/20 0.88
▸ STK10 O94804 2/20 0.88
▸ ABL1 P00519 2/20 0.88
▸ LCK P06239 2/20 0.88
▸ FYN P06241 2/20 0.88
▸ FES P07332 2/20 0.88
▸ YES1 P07947 2/20 0.88
▸ HCK P08631 2/20 0.88
▸ ROS1 P08922 2/20 0.88

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
SCHEMBL12781758 0.94 ALK (0.78) ALKINSRIGF1REGFRFGFR1
SCHEMBL12892763 0.94 ALK (0.77) ALKINSRIGF1REGFRFGFR1
Tae-684 SCHEMBL29641017 0.94 ALK (1.00) ALKINSRIGF1REGFRFGFR1
Tae-684 SCHEMBL282775 0.94 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL12780522 0.93 ALK (1.00) ALKINSRIGF1REGFRFGFR1
SCHEMBL12780141 0.92 ALK (0.88) ALKINSRIGF1REGFRFGFR1
SCHEMBL12892781 0.92 ALK (0.91) ALKINSRIGF1REGFRFGFR1
SCHEMBL12780529 0.92 ALK (0.74) ALKINSRIGF1REGFRFGFR1
SCHEMBL12781316 0.91 ALK (0.77) ALKINSRIGF1REGFRFGFR1
SCHEMBL14866222 0.90 ALK (0.87) ALKINSRIGF1REGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — 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

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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALK 3384/4885INSR 3201/4885IGF1R 4627/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885IGF1R 4633/4885

“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.