SCHEMBL18007197

SCHEMBL18007197

CBNC(=O)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
PPIA P62937 11/20 0.51
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL29273709 0.83 MAPT (0.65) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL22873283 0.80 KMT2A (0.61) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL16593178 0.77 KMT2A (0.56) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL13480594 0.76 PPIA (0.61) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL144326 0.76 KMT2A (0.65) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL13969504 0.74 KMT2A (0.53) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL16592358 0.74 CA12 (0.63) KMT2AMEN1PPIAMAPTTSHR
SCHEMBL1567605 0.74 KMT2A (0.61) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL1007576 0.74 MAPT (0.62) KMT2AMEN1LMNAPPIAMAPT
SCHEMBL27817518 0.73 NTRK1 (0.59) KMT2AMEN1LMNAPPIA

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-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-9718782-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-08-11 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 (1 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-20160229804-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGF, NGFR, NTRK2 KMT2A 4196/4885MEN1 4769/4885LMNA 1296/4885

“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.