SCHEMBL20515401

SCHEMBL20515401

Nc1cc(Cc2cccc(-c3ccn(Cc4ccccc4)n3)c2)c(N=Nc2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.57
▸ TPO P07202 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ LMNA P02545 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MAPT P10636 6/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL18619978 1.00 MPO (0.57) MPOTPOCYP3A4LMNANPC1
SCHEMBL18618821 0.86 MPO (0.47) MPOTPOCYP3A4LMNANPC1
SCHEMBL20515396 0.86 MPO (0.47) MPOTPOCYP3A4LMNANPC1
SCHEMBL18586844 0.82 MPO (0.68) MPOTPOCYP3A4LMNANPC1
SCHEMBL20672109 0.81 MAPT (0.44) MPOTPOCYP3A4LMNANPC1
SCHEMBL18586550 0.76 MPO (0.66) MPOTPOCYP3A4LMNANPC1
SCHEMBL18586036 0.76 MAPT (0.45) MPONPC1RAB9AMAPTKMT2A
SCHEMBL18586035 0.76 MAPT (0.45) MPONPC1RAB9AMAPTKMT2A
SCHEMBL20515400 0.76 DHFR (0.52) MPOSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL18618864 0.76 DHFR (0.52) MPOSMN1; SMN2MEN1KMT2AMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-10-04 — — 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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885TPO 7/4885CYP3A4 178/4885

“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.

Send feedback