SCHEMBL17596147

SCHEMBL17596147

Cc1nn(-c2ccc(N3CCNCC3)nc2)nc1COc1cc(N)nc2[nH]nnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.46
CYP3A4 P08684 1/20 0.46
HTR2C P28335 2/20 0.33
IL2 P60568 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NTRK1 P04629 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
USP28 Q96RU2 1/20 0.32
PRKD3 O94806 1/20 0.32
EGFR P00533 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
LCK P06239 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
ZAP70 P43403 1/20 0.32

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
SCHEMBL17596380 0.91 MPO (0.52) MPOCYP3A4TGFBR1ACVR1CACNA2D1
SCHEMBL17595701 0.90 MPO (0.43) MPOCYP3A4
SCHEMBL19283258 0.83 MPO (0.51) MPOCYP3A4
SCHEMBL17595428 0.83 MPO (0.50) MPOCYP3A4
SCHEMBL19283251 0.80 MPO (0.56) MPOCYP3A4
SCHEMBL17596375 0.80 MPO (0.56) MPOCYP3A4
SCHEMBL17596176 0.80 MPO (0.68) MPOCYP3A4
SCHEMBL19283250 0.80 JAK2 (0.44) IL2MAP4K1NTRK1ACVR1PRKD3
SCHEMBL17596397 0.80 MPO (0.55) MPOCYP3A4
SCHEMBL19283218 0.79 IKBKE (0.42) IL2MAP4K1NTRK1TGFBR1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 241/4885HTR2C 3437/4885

“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.