SCHEMBL17125339

SCHEMBL17125339

O=C(OO)c1cccc(-c2ccn(-c3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 4/20 0.41
SCN9A Q15858 1/20 0.41
HTT P42858 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL182162 0.86 KMO (0.53) ALDH1A1LMNACXCR5APLNRCCR6
SCHEMBL17125340 0.85 UBE2N (0.46) ALDH1A1CYP2C9CYP3A4CYP2C19GRM5
SCHEMBL17125341 0.84 DYRK1A (0.45) MAPTSCN9AABL1
SCHEMBL2709906 0.82 TP53 (0.55) ALDH1A1LMNACXCR5APLNRCCR6
SCHEMBL181876 0.81 KMT2A (0.51) GRM5L3MBTL1
SCHEMBL17279826 0.81 ALDH1A1 (0.48) ALDH1A1LMNACXCR5APLNRCCR6
SCHEMBL182136 0.80 KEAP1 (0.51) ALDH1A1SMN1; SMN2GAAPOLBMAPT
SCHEMBL17125349 0.80 TP53 (0.53) ALDH1A1GAACYP2C9MAPTCYP3A4
SCHEMBL181817 0.79 ALDH1A1 (0.49) ALDH1A1LMNACXCR5APLNRCCR6
SCHEMBL27824806 0.78 KMO (0.59) ALDH1A1LMNACXCR5APLNRCCR6

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 ALDH1A1 2509/4885LMNA 1882/4885CXCR5 4291/4885

“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.