SCHEMBL19359166

SCHEMBL19359166

Cc1ccc(C)n1-c1cc(C(CCNCc2ccccc2)c2ccccc2)cc(-n2c(C)ccc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MEN1 O00255 8/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ MITF O75030 2/20 0.43
▸ BCHE P06276 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ GPR55 Q9Y2T6 3/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL22423851 0.84 SMPD1 (0.42) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL19359496 0.84 SMPD1 (0.42) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL19359467 0.78 LMNA (0.52) KMT2ATP53SMN1; SMN2LMNAALDH1A1
SCHEMBL3641265 0.78 KCNH2 (0.69) MPOCYP3A4MEN1KMT2AKCNH2
SCHEMBL19380986 0.76 MPO (0.64) MPOCYP3A4MEN1KMT2AKCNH2
SCHEMBL19359152 0.76 MPO (0.64) MPOCYP3A4MEN1KMT2AKCNH2
SCHEMBL19359266 0.73 POLB (0.42) MEN1KMT2ATP53SMN1; SMN2LMNA
SCHEMBL19359520 0.71 LTA4H (0.46) MEN1KMT2ABCHESMN1; SMN2
SCHEMBL22423848 0.70 AKT1 (0.41) MEN1KMT2ACNR1LMNAALDH1A1
SCHEMBL19359416 0.69 TSHR (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO 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 (2 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885MEN1 4785/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885MEN1 4785/4885

“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.

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