SCHEMBL19730080

SCHEMBL19730080

CNc1c(C(=O)N=[N+]=[N-])cnn1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17853199 0.78 GABRA1 (0.37) GABRA1KMT2A
SCHEMBL19730079 0.75 KDM4C (0.41) NPC1RAB9ASMN1; SMN2KAT2BBRD9
SCHEMBL14922175 0.75 L3MBTL1 (0.38) GABRA1SMN1; SMN2MEN1KMT2A
SCHEMBL27478868 0.75 GABRA1 (0.33) GABRA1
SCHEMBL15998476 0.74 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KAT2BBRD9
SCHEMBL27783422 0.65 POLB (0.51) GABRA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16245836 0.64 SLC9A1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23213625 0.62 SMN1; SMN2 (0.42) GABRA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16245853 0.62 KMT2A (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL8233543 0.61

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-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 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-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 GABRA1 1252/4885NPC1 2836/4885RAB9A 1120/4885
US-10035774-B2 Pyrazolyl carboxylic acid and pyrazolyl urea derivative compounds UROD, PEPD, CMPK1 GABRA1 1252/4885NPC1 2836/4885RAB9A 1120/4885

“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.