SCHEMBL3118718

SCHEMBL3118718

COc1ccc(N(C)c2nc(N)nc3cccc(CCN)c23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 9/20 0.52
▸ PDGFRB P09619 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ DCPS Q96C86 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ PDGFRA P16234 1/20 0.39
▸ KDR P35968 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
SCHEMBL3115073 0.88 TUBB3 (0.50) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3114838 0.81 TUBB3 (0.47) DHFRPDGFRBEGFRTUBB3KDR
Trifluoroacetic Acid SCHEMBL3126704 0.79 TUBB3 (0.45) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3126711 0.78 TUBB3 (0.45) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3122059 0.78 TUBB3 (0.49) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3112443 0.78 TUBB3 (0.49) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3120807 0.78 TUBB3 (0.49) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3118924 0.78 ABCB1 (0.47) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3107648 0.77 TUBB3 (0.48) DHFRPDGFRBEGFRTUBB3KDR
SCHEMBL3113432 0.76 ABCB1 (0.47) DHFRPDGFRBEGFRTUBB3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX DHFR 426/4885PDGFRB 2783/4885EGFR 3147/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX DHFR 482/4885PDGFRB 2627/4885EGFR 2648/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 DHFR 173/4885PDGFRB 625/4885EGFR 288/4885

“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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