SCHEMBL17544472

SCHEMBL17544472

Clc1nccc(NC2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 8/20 0.57
CYP3A4 P08684 4/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
CTSK P43235 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 1/20 0.48
KCNH2 Q12809 1/20 0.44
MERTK Q12866 1/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27819587 0.93 CTSK (0.54) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL3451280 0.93 CTSK (0.58) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL13213387 0.92 MALT1 (0.50) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL3807631 0.92 MALT1 (0.50) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL31135484 0.92 MERTK (0.54) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL19174443 0.91 CTSK (0.60) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL12526894 0.88 HRH3 (0.68) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL19462069 0.88 MAPK1 (0.49) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL29502011 0.87 CTSK (0.50) MALT1CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL29501931 0.87 CTSK (0.50) MALT1CYP3A4CYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4070795-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2022-10-12 EP disclosed
EP-3185868-B1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INST FOR BIOLOGICAL STUDI (US) 2022-04-06 EP disclosed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
US-10689397-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-23 US disclosed
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
EP-3185868-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME Salk Institute for Biological Studies (US) 2017-07-05 EP disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2016044781-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
WO-2016044781-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-03-24 WO disclosed
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2016033100-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-03-03 WO disclosed
WO-2016033100-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-03-03 WO disclosed
CN-102203070-A Alkoxy-and alkylthio-substituted anilinopyrimidines BAYER CROPSCIENCE AG 2011-09-28 CN disclosed
CN-101621927-A Diaminopyrimidines as fungicides BAYER CROPSCIENCE AG 2010-01-06 CN 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 (5 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-10689397-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 MALT1 1180/4885CYP3A4 4260/4885CYP1A2 4542/4885
US-10550099-B2 Quinolinone pyrimidines compositions as mutant-isocitrate dehydrogenase inhibitors IDH1, IDH3A, IDH3B MALT1 2706/4885CYP3A4 3107/4885CYP1A2 1582/4885
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 MALT1 1204/4885CYP3A4 2997/4885CYP1A2 3234/4885
US-10774092-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 MALT1 1180/4885CYP3A4 4260/4885CYP1A2 4542/4885
US-20160083365-A1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B MALT1 2706/4885CYP3A4 3107/4885CYP1A2 1582/4885

“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.