SCHEMBL15070769

SCHEMBL15070769

CC(=O)Nc1cc(-c2ccncc2)nn1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NTRK1 P04629 3/20 0.71
GRM5 P41594 9/20 0.64
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LDHA P00338 1/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL15070291 0.93 MAPT (0.64) MAPTSMN1; SMN2NTRK1GRM5LMNA
SCHEMBL14133182 0.87 MAPT (0.79) MAPTSMN1; SMN2GRM5LMNAALDH1A1
SCHEMBL14132521 0.86 MAPT (0.77) MAPTSMN1; SMN2GRM5LMNAALDH1A1
SCHEMBL18925827 0.83 NTRK1 (1.00) NTRK1GRM5LMNA
SCHEMBL15070275 0.81 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NTRK1GRM5LMNA
SCHEMBL16586620 0.81 NTRK1 (1.00) MAPTSMN1; SMN2NTRK1GRM5LMNA
SCHEMBL17111094 0.81 NTRK1 (0.82) NTRK1GRM5LMNAPOLB
SCHEMBL31324307 0.78 MAPT (0.88) MAPTSMN1; SMN2GRM5LMNAALDH1A1
SCHEMBL5924123 0.78 GRM5 (1.00) MAPTNTRK1GRM5LMNAALDH1A1
SCHEMBL31324301 0.78 GRM5 (0.59) MAPTSMN1; SMN2NTRK1GRM5LMNA

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B MAPT 4368/4885SMN1; SMN2 3990/4885NTRK1 4482/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 MAPT 4398/4885SMN1; SMN2 3783/4885NTRK1 4760/4885

“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.