SCHEMBL17182858

SCHEMBL17182858

Cc1cc(-c2cnn3c(OCC4CCOCC4)cc(Oc4ccccc4)nc23)ccc1NC(=O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.56
▸ CYP3A4 P08684 4/20 0.49
▸ ABL1 P00519 2/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL17190213 0.84 TTK (0.77) TTKCYP3A4CYP2C9CYP2C19
SCHEMBL15739905 0.81 TTK (0.73) TTKCYP3A4
SCHEMBL17182892 0.76 TTK (0.65) TTKCYP3A4
SCHEMBL17182972 0.74 TTK (0.41) TTKCYP3A4
SCHEMBL17182945 0.73 TTK (0.71) TTKCYP3A4
SCHEMBL15739909 0.72 TTK (0.88) TTKCYP3A4CYP2C9CYP2C19
SCHEMBL17182819 0.72 TTK (0.76) TTKCYP3A4
SCHEMBL15739908 0.72 TTK (1.00) TTKCYP3A4
SCHEMBL15739874 0.71 TTK (1.00) TTKCYP3A4CYP2C9CYP2C19
SCHEMBL20627117 0.70 TTK (0.84) TTKCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 — — US disclosed
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2019-02-07 — — US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 — — EP disclosed
US-10106545-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2018-10-23 — — 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-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 (5 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 10/4885ABL1 696/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD TTK 3149/4885CYP3A4 10/4885ABL1 696/4885
US-10106545-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD TTK 3015/4885CYP3A4 12/4885ABL1 635/4885
US-20170217966-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3015/4885CYP3A4 12/4885ABL1 635/4885
US-20190040074-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD TTK 3015/4885CYP3A4 12/4885ABL1 635/4885

“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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