SCHEMBL15739799

SCHEMBL15739799

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Oc2cccc(F)c2)nc2c(Br)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK14 Q16539 1/20 0.36
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SLC6A2 P23975 4/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL17182803 0.92 TTK (0.41) TTKCYP3A4MAPK14
SCHEMBL17190198 0.91 SSTR4 (0.37) TTKCYP3A4HDAC1HDAC8HDAC6
SCHEMBL17182806 0.89 TTK (0.40) TTKCYP3A4MAPK14HDAC1HDAC8
SCHEMBL15739824 0.89 TTK (0.36) TTKCYP3A4
SCHEMBL17190199 0.86 TTK (0.45) TTKCYP3A4MAPK14HDAC1HDAC8
SCHEMBL17190192 0.86 TTK (0.41) TTKCYP3A4MAPK14
SCHEMBL15739822 0.84 TTK (0.33) TTK
SCHEMBL17754432 0.83 TTK (0.40) TTKCYP3A4
SCHEMBL29737027 0.83 TTK (0.40) TTKCYP3A4
SCHEMBL15739854 0.83 TTK (0.45) TTKCYP3A4MAPK14

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
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 — — EP disclosed
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-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
WO-2014075168-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2014-05-22 — — 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-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3149/4885CYP3A4 10/4885MAPK14 840/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3015/4885CYP3A4 12/4885MAPK14 1295/4885

“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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