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Sugi Predict / Compounds / SCHEMBL3815740

SCHEMBL3815740

SCHEMBL3815740

NCCCCCCCc1nc(NCc2ccccc2Br)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ PRKCQ Q04759 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3822537 0.88 PRKCQ (0.54) MAPTPRKCQPOLBSMN1; SMN2LMNA
SCHEMBL3817636 0.88 PRKCQ (0.54) MAPTPRKCQPOLBSMN1; SMN2LMNA
SCHEMBL3817617 0.88 PRKCQ (0.54) MAPTPRKCQPOLBSMN1; SMN2LMNA
SCHEMBL3820688 0.80 PRKCQ (0.43) MAPTPRKCQPOLBMAPK1KMT2A
SCHEMBL3913826 0.79 MAPT (0.57) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL3812897 0.79 PRKCQ (0.56) MAPTPRKCQCDK5
SCHEMBL3812415 0.79 PRKCQ (0.56) MAPTPRKCQCDK5
SCHEMBL3815982 0.73 PRKCQ (0.48) MAPTPRKCQPOLBMAPK1KMT2A
SCHEMBL13720174 0.70 PRKCQ (0.78) PRKCQCDK5
SCHEMBL3812452 0.69 PRKCQ (0.55) MAPTPRKCQPOLBSMN1; SMN2LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 — — EP claimed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 — — EP claimed
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-02 — — US claimed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 — — WO claimed
EP-3046560-B1 STEM CELL MODULATION II EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-01-06 — — EP disclosed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 — — US disclosed
EP-3706776-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR Epiaxis Therapeutics Pty Ltd (AU) 2020-09-16 — — EP disclosed
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR EPIAXIS THERAPEUTICS PTY LTD (AU) 2020-09-10 — — US disclosed
CN-111587120-A Immunogenic compositions and uses thereof 艾比克斯治疗私人有限公司 2020-08-25 — — CN disclosed
US-10736892-B2 Stem cell modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2020-08-11 — — US disclosed
US-20190192509-A1 Stem Cell Modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2019-06-27 — — US disclosed
US-10124001-B2 Stem cell modulation II UNIVERSITY OF CANBERRA (AU) 2018-11-13 — — US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 — — US disclosed
EP-3185858-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR University of Canberra (AU) 2017-07-05 — — EP disclosed
US-20160354367-A1 Stem Cell Modulation II UNIVERSITY OF CANBERRA (AU) 2016-12-08 — — US disclosed
WO-2016029262-A1 COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2016-03-03 — — WO disclosed
EP-1590334-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (US) 2009-08-19 — — 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 (8 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-10736892-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MAPT 4150/4885PRKCQ 1/4885POLB 2242/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MAPT 3208/4885PRKCQ 1/4885POLB 3472/4885
US-20040242613-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCD MAPT 3514/4885PRKCQ 2/4885POLB 176/4885
US-20200282010-A1 IMMUNOGENIC COMPOSITIONS AND USES THEREFOR NFATC1, PRKCQ, PRKCH MAPT 2077/4885PRKCQ 2/4885POLB 3396/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MAPT 3208/4885PRKCQ 1/4885POLB 3472/4885
US-10124001-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG MAPT 4150/4885PRKCQ 1/4885POLB 2242/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MAPT 4150/4885PRKCQ 1/4885POLB 2242/4885
US-20160354367-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG MAPT 4150/4885PRKCQ 1/4885POLB 2242/4885

“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.