SCHEMBL4013976

SCHEMBL4013976

Cc1ccc(N)cc1-n1cc(-c2cnc(C3CC3)n2C)nn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
GPR142 Q7Z601 3/20 0.34
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
KCNH2 Q12809 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRAF P15056 4/20 0.33
USP2 O75604 1/20 0.32
ABL1 P00519 4/20 0.32
BCR P11274 4/20 0.32

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
SCHEMBL4013972 0.85 GPR142 (0.42) GPR142BRAFABL1BCR
SCHEMBL4014724 0.73 BRAF (0.43) GPR142BRAF
SCHEMBL4014746 0.70 MAPK14 (0.52) GPR142BRAF
SCHEMBL4032069 0.70 BRAF (0.45) GPR142BRAF
SCHEMBL4031152 0.70 BRAF (0.43) GPR142BRAF
SCHEMBL12398710 0.70 FLT3 (0.39) FLT3GSK3BGPR142MAPTKDM4E
SCHEMBL28419651 0.70 KDR (0.45) KCNH2MAPTKDM4EALDH1A1LMNA
SCHEMBL4016908 0.69 BRAF (0.49) BRAF
SCHEMBL4020361 0.68 ABL1 (0.41) BRAFABL1BCR
SCHEMBL4017535 0.68 MIF (0.51) FLT3GSK3BMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 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 (1 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-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B FLT3 1210/4885GSK3B 3398/4885GPR142 1118/4885

“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.