SCHEMBL17182803

SCHEMBL17182803

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Oc2ccccc2)nc2c(Br)cnn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.41
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.31
▸ SLC16A3 O15427 2/20 0.31
▸ SLC16A1 P53985 2/20 0.31
▸ NAPEPLD Q6IQ20 2/20 0.30
▸ MCTS1 Q9ULC4 1/20 0.30
▸ P2RY12 Q9H244 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
SCHEMBL17190192 0.94 TTK (0.41) TTKCYP3A4MAPK14EGLN1NAPEPLD
SCHEMBL15739824 0.92 TTK (0.36) TTKCYP3A4NAPEPLD
SCHEMBL15739799 0.92 TTK (0.39) TTKCYP3A4MAPK14
SCHEMBL15739854 0.91 TTK (0.45) TTKCYP3A4KDM4EMEN1KMT2A
SCHEMBL15719043 0.89 TTK (0.43) TTKCYP3A4KDM4EMEN1KMT2A
SCHEMBL15739822 0.87 TTK (0.33) TTK
SCHEMBL29737027 0.86 TTK (0.40) TTKCYP3A4NAPEPLD
SCHEMBL17754432 0.86 TTK (0.40) TTKCYP3A4NAPEPLD
SCHEMBL17190193 0.86 TTK (0.36) TTKCYP3A4NAPEPLD
SCHEMBL17190188 0.85 TTK (0.36) TTK

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-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — US disclosed
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2017-08-03 — — US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-9573954-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2017-02-21 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 — — 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 (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-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3149/4885CYP3A4 10/4885KDM4E 2089/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3015/4885CYP3A4 12/4885KDM4E 2636/4885

“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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