SCHEMBL6841402

SCHEMBL6841402

Nc1cc(Cl)c(-n2ccnc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NOTUM Q6P988 1/20 0.44
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP19A1 P11511 2/20 0.36
HRH4 Q9H3N8 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
SCHEMBL965132 0.77 LMNA (0.48) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL993086 0.77 IDO1 (0.57) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL8333936 0.76 CYP3A4 (0.56) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL16923117 0.73 CYP3A4 (0.54) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL18263064 0.73 CYP11B1 (0.49) IDO1MAPTLMNACYP3A4CYP1A2
SCHEMBL23354608 0.72 LMNA (0.52) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL1449607 0.69 LMNA (0.58) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL23903353 0.68 CYP19A1 (0.39) IDO1MAPTLMNANOTUMMEN1
SCHEMBL4829700 0.68 IDO1 (0.61) IDO1MAPTLMNANOTUMCYP3A4
SCHEMBL6039463 0.68 IDO1 (0.36) IDO1MAPTLMNANOTUMCYP3A4

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA IDO1 1394/4885MAPT 899/4885LMNA 4001/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA IDO1 1394/4885MAPT 899/4885LMNA 4001/4885

“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.