SCHEMBL13026558

SCHEMBL13026558

CCCc1cc(C)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
BACE1 P56817 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.37
CTSK P43235 4/20 0.36
KDM5B Q9UGL1 1/20 0.35
CTSS P25774 2/20 0.35
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SREBF2 Q12772 1/20 0.33

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
SCHEMBL12539085 0.84 KCNH2 (0.50) NOS2SLC6A3ALDH1A1
SCHEMBL21090979 0.82 NOS2 (0.48) NOS2NOS3NOS1BACE1MAPT
SCHEMBL805465 0.81 NOS3 (0.45) NOS2NOS3NOS1SLC6A3MAPT
SCHEMBL15277643 0.80 SLC6A3 (0.39) SLC6A3KDM4EHSD17B10ALDH1A1
SCHEMBL21090999 0.80 SLC6A3 (0.39) NOS2NOS3NOS1SLC6A3
SCHEMBL8364061 0.78 NOS2 (0.55) NOS2NOS3NOS1BACE1
SCHEMBL10827852 0.78 NOS2 (0.46) NOS2NOS3NOS1BACE1MAPT
SCHEMBL9310993 0.78 NOS2 (0.46) NOS2NOS3NOS1BACE1MAPT
SCHEMBL3802657 0.78 ALDH1A1 (0.46) NOS2NOS3NOS1BACE1MAPT
SCHEMBL11829782 0.77 NOS2 (0.64) NOS2NOS3NOS1BACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
US-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-22 US disclosed
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-11 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 (4 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-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 NOS2 897/4885NOS3 866/4885NOS1 1614/4885
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 NOS2 897/4885NOS3 866/4885NOS1 1614/4885
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD NOS2 2757/4885NOS3 1880/4885NOS1 2857/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 NOS2 897/4885NOS3 866/4885NOS1 1614/4885

“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.