SCHEMBL17125341

SCHEMBL17125341

O=C(OO)c1cccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
SCN9A Q15858 3/20 0.45
ABL1 P00519 10/20 0.44
BCR P11274 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL182081 0.90 MRGPRX4 (0.49) DYRK1AABL1BCRKDM4EMAPT
SCHEMBL17125340 0.87 UBE2N (0.46) SCN9A
SCHEMBL17125339 0.84 ALDH1A1 (0.43) SCN9AABL1MAPT
SCHEMBL2708402 0.81 ABL1 (0.51) DYRK1ASCN9AABL1BCRKDM4E
SCHEMBL17125348 0.81 STIM1 (0.46) MRGPRX4
SCHEMBL19121067 0.80 SCN5A (0.47) DYRK1AKDM4EMAPTMAPK1
SCHEMBL16906745 0.80 ABL1 (0.51) DYRK1ASCN9AABL1BCRKDM4E
SCHEMBL2712576 0.80 STIM1 (0.43) ABL1MRGPRX4
SCHEMBL181805 0.80 MRGPRX4 (0.50) SCN9AABL1BCRKDM4EMAPT
SCHEMBL182599 0.80 MRGPRX4 (0.48) SCN9AABL1MRGPRX4

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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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 (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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL DYRK1A 4261/4885SCN9A 2567/4885ABL1 2499/4885

“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.