SCHEMBL17125340

SCHEMBL17125340

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GRM5 P41594 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 1/20 0.40
P2RY14 Q15391 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SCN9A Q15858 2/20 0.40
CASR P41180 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PTPN11 Q06124 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL17125341 0.87 DYRK1A (0.45) SCN9A
SCHEMBL185371 0.87 KMT2A (0.49) UBE2NALDH1A1GRM5OPRD1P2RY14
SCHEMBL17125339 0.85 ALDH1A1 (0.43) ALDH1A1GRM5CYP3A4CYP2C9CYP2C19
SCHEMBL181876 0.78 KMT2A (0.51) GRM5MAP2K4STIM1ORAI1
SCHEMBL17125352 0.78 RXRA (0.45) ALDH1A1OPRD1P2RY14SIGMAR1PTPN11
SCHEMBL2710440 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL182081 0.77 MRGPRX4 (0.49) AURKATRPC1TRPC3STIM1ORAI1
SCHEMBL182107 0.76 MEN1 (0.54) ALDH1A1GRM5CYP1A2CYP3A4CYP2C9
SCHEMBL2710665 0.76 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28103504 0.76 UBE2N (0.47) UBE2NALDH1A1GRM5AURKA

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 UBE2N 2207/4885ALDH1A1 2509/4885GRM5 1818/4885

“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.