SCHEMBL16748623

SCHEMBL16748623

Nc1nc(Cl)nc(Nc2ccc(OC(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.55
▸ MAPT P10636 6/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NFKB1 P19838 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS2 P35354 1/20 0.45
▸ TXN P10599 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ APP P05067 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SCN5A Q14524 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 2/20 0.44

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
SCHEMBL16740817 0.91 MAPT (0.58) ROCK1MAPTSMN1; SMN2NFKB1KDM4E
SCHEMBL2201567 0.75 PTGS2 (0.49) MAPTSMN1; SMN2NFKB1KDM4ENPC1
SCHEMBL10668863 0.74 RAB9A (0.51) ROCK1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL16748576 0.74 BMI1 (0.53) ROCK1MAPTKDM4ENPC1JAK2
SCHEMBL12813201 0.73 SCN9A (0.66) ROCK1MAPTNPC1RAB9AALDH1A1
SCHEMBL25148094 0.73 PTGS2 (0.47) MAPTSMN1; SMN2NFKB1KDM4ENPC1
SCHEMBL11807001 0.73 MAPT (0.68) MAPTSMN1; SMN2NFKB1NPC1JAK2
SCHEMBL5471897 0.73 NPC1 (0.50) MAPTSMN1; SMN2NFKB1KDM4ENPC1
SCHEMBL30407885 0.73 PTGS2 (0.47) MAPTSMN1; SMN2NFKB1KDM4ENPC1
SCHEMBL17220091 0.72 APP (0.68) PTGS2TXNAPPMAPK1CA12

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-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 — — US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 — — US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 — — US disclosed
WO-2015076801-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — 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-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B ROCK1 2999/4885MAPT 4579/4885SMN1; SMN2 2921/4885

“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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