SCHEMBL1553082

SCHEMBL1553082

COC(=O)c1cc(I)c[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
NR4A2 P43354 10/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAP2K1 Q02750 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
DYRK1A Q13627 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL9590512 0.81 ALDH1A1 (0.55) PKMKDM4EGLAGAAMAPT
SCHEMBL14308856 0.81 PKM (0.46) PKMDYRK1A
SCHEMBL26084077 0.80 DAO (0.50) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL3355140 0.79 DYRK1A (0.62) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL200070 0.79 NR4A2 (0.50) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL14044622 0.76 NR4A2 (0.41) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL370477 0.76 BAZ2B (0.54) GAAMAPTCYP1A2KMT2A
SCHEMBL27955922 0.75 NR4A2 (0.41) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL21712949 0.74 BAZ2B (0.53) GAAMAPTCYP1A2KMT2A
SCHEMBL3348546 0.73 ALDH1A1 (0.50) NR4A2CREBBPKDM4EGLAGAA

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 35 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-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
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
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
EP-0265126-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1994-04-13 EP disclosed
US-4988813-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-01-29 US disclosed
US-4902796-A 6-alkenyl and ethynyl derivatives of 2-amino-4-hydroxypyrido[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-02-20 US disclosed
US-4818819-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-04-04 US disclosed
EP-0265126-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-04-27 EP 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 PKM 14/4885NR4A2 3327/4885CREBBP 477/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 PKM 4345/4885NR4A2 1350/4885CREBBP 2126/4885
US-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 PKM 772/4885NR4A2 4244/4885CREBBP 1189/4885

“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.