SCHEMBL1044745

SCHEMBL1044745

N#Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.55
HTR6 P50406 6/20 0.43
PTGER4 P35408 1/20 0.40
CYP2C9 P11712 1/20 0.37
PPME1 Q9Y570 3/20 0.36
MET P08581 1/20 0.36
CYP2C19 P33261 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CCR6 P51684 1/20 0.35
APEH P13798 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 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
SCHEMBL20839195 0.88 BRD4 (0.48) BRD4HTR6PTGER4CCR6
SCHEMBL13745848 0.88 BRD4 (0.58) BRD4HTR6CCR6
SCHEMBL1773252 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1043519 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19IRAK4
SCHEMBL1266871 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1799967 0.81 BRD4 (0.67) BRD4HTR6METCYP2C19
SCHEMBL1887325 0.81 BRD4 (0.58) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1050312 0.81 BRD4 (0.64) BRD4HTR6METCYP2C19
SCHEMBL1585180 0.81 BRD4 (0.52) BRD4HTR6METCYP2C19HTR1A
SCHEMBL1487601 0.79 BRD4 (0.41) BRD4HTR6PTGER4CYP2C9CYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP 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
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US disclosed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 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 (3 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 BRD4 337/4885HTR6 3526/4885PTGER4 3850/4885
US-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1384/4885HTR6 2354/4885PTGER4 3087/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885HTR6 2381/4885PTGER4 3151/4885

“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.