SCHEMBL2736625

SCHEMBL2736625

Cc1cc(-c2ccco2)[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.64
MAPT P10636 9/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 4/20 0.57
PDE10A Q9Y233 1/20 0.54
HPGD P15428 7/20 0.53
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 3/20 0.48
ALOX12 P18054 2/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL26905260 0.78 PDPK1 (0.64) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL570420 0.78 PDPK1 (1.00) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL6989851 0.77 PDPK1 (0.58) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL14008960 0.77 PDPK1 (0.58) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL12299536 0.77 PDPK1 (0.58) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL12038438 0.77 PDPK1 (0.58) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL17943642 0.76 HPGD (0.70) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL13483394 0.75 PDPK1 (0.55) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL17742689 0.75 MAPT (0.75) PDPK1MAPTMEN1KMT2APOLB
SCHEMBL17279985 0.74 HPGD (0.60) PDPK1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
US-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2016-05-26 US disclosed
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114882-B2 Antitumor agents; kinase inhibitors; angiogenesis inhibitors; arteriosclerosis ; antiinflammatory agents MERCK PATENT GMBH (DE) 2012-02-14 US 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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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 (6 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 PDPK1 3579/4885MAPT 4664/4885MEN1 4737/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R PDPK1 1684/4885MAPT 4074/4885MEN1 3159/4885
US-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME SREBF1, SREBF2, BPTF PDPK1 3462/4885MAPT 3915/4885MEN1 1341/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 PDPK1 1928/4885MAPT 3393/4885MEN1 4507/4885
US-20080194605-A1 (1H-Ind0l-7-Yl)-(Pyrimidin-2-Ylamino)Methanone Derivatives and Related Compounds as Igf-R1 Inhibitors for the Treatment of Cancer IGF1R, INHA, CCNO PDPK1 1958/4885MAPT 4510/4885MEN1 716/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 PDPK1 1242/4885MAPT 158/4885MEN1 2356/4885

“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.