SCHEMBL17886903

SCHEMBL17886903

Cc1cncc(CNC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 15/20 0.40
▸ CYP11B2 P19099 15/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL27112910 0.81 ALDH1A1 (0.35) CYP3A4
SCHEMBL16606310 0.79 CYP1A2 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9NAMPT
SCHEMBL27114394 0.79 AOC3 (0.33) —
SCHEMBL10061636 0.78 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CYP2C9NAMPT
SCHEMBL13117438 0.77 GLA (0.39) —
SCHEMBL23623785 0.76 CYP2C9 (0.39) CYP11B1CYP11B2CYP3A4CYP2C9NAMPT
SCHEMBL20663281 0.76 CYP2C9 (0.39) CYP11B1CYP11B2CYP3A4CYP2C9NAMPT
SCHEMBL25489462 0.75 PDCD1 (0.38) CYP2C9
SCHEMBL2260514 0.74 KDR (0.38) CYP11B1CYP11B2CYP3A4CYP2C9NAMPT
SCHEMBL19318486 0.74 CYP2C9 (0.47) CYP11B2CYP2C9NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CYP11B1 955/4885CYP11B2 632/4885CYP3A4 516/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CYP11B1 955/4885CYP11B2 632/4885CYP3A4 516/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 CYP11B1 955/4885CYP11B2 632/4885CYP3A4 516/4885

“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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