SCHEMBL8041736

SCHEMBL8041736

CC(C)Nc1nc(NC(C)C)nc(NC(C)C)n1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.74
TDP1 Q9NUW8 2/20 0.74
HTT P42858 3/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.64
F2 P00734 1/20 0.64
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
KCNH3 Q9ULD8 3/20 0.56
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9970686 0.88 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL20117984 0.88 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL29368367 0.88 GAA (0.61) GAATDP1HTTMAPK1LMNA
SCHEMBL2488992 0.86 GAA (0.58) GAATDP1HTTMAPK1LMNA
SCHEMBL8059674 0.86 GAA (0.58) GAATDP1HTTMAPK1LMNA
SCHEMBL22753513 0.86 GAA (0.58) GAATDP1HTTMAPK1LMNA
Propazine SCHEMBL67521 0.86 GAA (1.00) GAATDP1HTTMAPK1LMNA
Propazine SCHEMBL8539531 0.86 GAA (1.00) GAATDP1HTTMAPK1LMNA
SCHEMBL9970677 0.84 GAA (0.56) GAATDP1HTTMAPK1LMNA
SCHEMBL11689362 0.84 GAA (0.56) GAATDP1HTTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 US disclosed
US-10011628-B2 Multivalent sialic acid derivatives ADENOVIR PHARMA AB (SE) 2018-07-03 US disclosed
US-10011628-B2 Multivalent sialic acid derivatives ADENOVIR PHARMA AB (SE) 2018-07-03 US disclosed
US-20180120694-A1 HOLOGRAM RECORDING COMPOSITION, HOLOGRAM RECORDING MEDIUM, AND METHOD OF PRODUCING HOLOGRAM RECORDING MEDIUM SONY CORPORATION (JP) 2018-05-03 US disclosed
US-20160207955-A1 MULTIVALENT SIALIC ACID DERIVATIVES ADENOVIR PHARMA AB (SE) 2016-07-21 US disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
US-5534573-A FLAME RETARDANTS COURTAULDS PLC (GB) 1996-07-09 US disclosed
US-4186265-A BY EXTRACTION WITH AQUEOUS ACID OR BY ACIDIFICATION OF ALKALINE FILTRATE FOLLOWED BY EXTRACTION WITH WATER-IMMISCIBLE SOLVENT CIBA-GEIGY CORPORATION (US) 1980-01-29 US 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 (7 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID GAA 3737/4885TDP1 4564/4885HTT 1692/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID GAA 3737/4885TDP1 4564/4885HTT 1692/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR GAA 3314/4885TDP1 4302/4885HTT 2023/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID GAA 3737/4885TDP1 4564/4885HTT 1692/4885
US-20160207955-A1 MULTIVALENT SIALIC ACID DERIVATIVES SIGLEC9, NEU3, NEU1 GAA 454/4885TDP1 4206/4885HTT 3968/4885
US-10011628-B2 Multivalent sialic acid derivatives SIGLEC9, NEU3, NEU1 GAA 454/4885TDP1 4206/4885HTT 3968/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID GAA 3737/4885TDP1 4564/4885HTT 1692/4885

“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.