SCHEMBL17595370

SCHEMBL17595370

CCn1nc(COc2cc(N)nc(N)c2N=Nc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RECQL P46063 1/20 0.34
▸ MAPK1 P28482 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MPO P05164 2/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL17595369 1.00 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL17596135 0.79 MPO (0.31) MPO
SCHEMBL19295489 0.75 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL17596065 0.73 MPO (0.46) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL17596066 0.73 MPO (0.46) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL18585009 0.73 MPO (0.36) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL18585011 0.73 MPO (0.36) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL20481870 0.72 MPO (0.50) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL18620993 0.72 MPO (0.50) MAPTMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL19283241 0.72 ALDH1A1 (0.33) MAPTGAAMPOKDM4EALDH1A1

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 4 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-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 MAPT 4659/4885MEN1 4280/4885KMT2A 1779/4885

“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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