Sugi Predict

Sugi Predict / Compounds / SCHEMBL1050296

SCHEMBL1050296

SCHEMBL1050296

O=S(=O)(c1ccccc1)n1cc(I)c2c(Cl)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ MET P08581 2/20 0.42
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ HTR6 P50406 8/20 0.39
▸ ALDH3A1 P30838 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL30668758 0.87 L3MBTL1 (0.46) BRD4PKMHTR6ALDH3A1ALDH1A1
SCHEMBL2881500 0.87 L3MBTL1 (0.46) BRD4PKMHTR6ALDH3A1ALDH1A1
SCHEMBL16050462 0.84 CYP2C19 (0.45) CYP2C19BRD4METENPP3ENPP1
SCHEMBL2105176 0.84 CYP2C19 (0.45) CYP2C19BRD4METENPP3ENPP1
SCHEMBL1585008 0.81 BRD4 (0.43) CYP2C19BRD4METPKMHTR6
SCHEMBL1050209 0.81 BRD4 (0.43) CYP2C19BRD4METHTR6SMN1; SMN2
SCHEMBL27815784 0.81 CYP2C19 (0.42) CYP2C19BRD4METENPP3ENPP1
SCHEMBL2104972 0.81 CYP2C19 (0.42) CYP2C19METENPP3ENPP1PKM
SCHEMBL2237471 0.80 LMNA (0.51) CYP2C19METENPP3ENPP1PKM
Pyrimidine SCHEMBL27835166 0.79 CYP2C19 (0.40) CYP2C19BRD4METENPP3ENPP1

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
WO-2014093383-A1 SUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINE AND 1H-PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS SALT INDUCIBLE KINASE 2 (SIK2) INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-06-19 — — WO disclosed
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 — — EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 — — US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CYP2C19 3173/4885BRD4 1274/4885MET 2917/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CYP2C19 1492/4885BRD4 123/4885MET 1761/4885

“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.