SCHEMBL21652020

SCHEMBL21652020

COc1ccc(NC(=O)C2C3CC2CN(C)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
GRIN2B Q13224 1/20 0.48
HPGD P15428 2/20 0.48
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL20148028 0.82 POLB (0.51) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL20068838 0.81 ALDH1A1 (0.51) NPC1RAB9APOLBHTTSMN1; SMN2
SCHEMBL20153135 0.75 MAPT (0.56) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL4821598 0.75 NPC1 (0.55) NPC1RAB9APOLBHTTSMN1; SMN2
SCHEMBL8324607 0.72 MTNR1A (0.71) NPC1RAB9APOLBHTTSMN1; SMN2
SCHEMBL5205624 0.70 NPC1 (0.69) NPC1RAB9APOLBHTTKMT2A
SCHEMBL15922602 0.70 HPGD (0.71) NPC1RAB9APOLBHTTSMN1; SMN2
SCHEMBL15922601 0.70 HPGD (0.71) NPC1RAB9APOLBHTTSMN1; SMN2
SCHEMBL3188745 0.69 ENPP3 (0.69) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL8185007 0.69 POLB (0.58) NPC1RAB9APOLBHTTSMN1; SMN2

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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 NPC1 4145/4885RAB9A 632/4885POLB 3354/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 NPC1 4145/4885RAB9A 632/4885POLB 3354/4885

“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.