SCHEMBL1750073

SCHEMBL1750073

c1ccc(-c2ncc3c(n2)NCN3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTR2C P28335 1/20 0.42
HPGDS O60760 7/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 2/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1750940 0.85 CYP2A6 (0.49) SMN1; SMN2HPGDSLMNAMAPTALDH1A1
SCHEMBL5804166 0.76 CYP11B1 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23085273 0.70 GSK3B (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14940686 0.69 HTR2C (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23002858 0.68 KDM4E (0.34) NFKB1NFKB2RELA
SCHEMBL6638388 0.68 HTR2C (0.62) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5332952 0.68 GRM5 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6615342 0.68 ADK (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28054621 0.67 HPGDS (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL24787166 0.67 HTR2C (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US claimed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US claimed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 NPC1 1191/4885RAB9A 2459/4885SMN1; SMN2 3798/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC NPC1 1218/4885RAB9A 2356/4885SMN1; SMN2 3850/4885

“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.