SCHEMBL17528582

SCHEMBL17528582

COc1ccc(Nc2nc(C)nc3[nH]ccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 11/20 0.64
▸ TTBK2 Q6IQ55 11/20 0.64
▸ KDR P35968 3/20 0.56
▸ EGFR P00533 2/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ NPY5R Q15761 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ TEK Q02763 1/20 0.46

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
SCHEMBL17528585 0.81 ADRA2A (0.53) TTBK1TTBK2KDREGFRPDGFRB
SCHEMBL19033752 0.81 SYK (0.44) TTBK1TTBK2KDREGFRPDGFRB
SCHEMBL3108501 0.75 NPY5R (0.72) KDREGFRPDGFRBMEN1POLB
SCHEMBL24881479 0.75 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL5463564 0.73 KMT2A (0.65) KDREGFRPDGFRBMEN1POLB
SCHEMBL12736495 0.73 SYK (0.42) TTBK1TTBK2KDREGFRPDGFRB
SCHEMBL3121619 0.72 KDR (0.64) KDREGFRPDGFRBABCB1
SCHEMBL18540801 0.72 TTK (0.47) KDREGFRPDGFRBIGF1R
SCHEMBL27393525 0.72 DYRK1A (0.44) TTBK1TTBK2
SCHEMBL31098989 0.71 TTBK1 (0.64) TTBK1TTBK2EGFRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 — — US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 — — US disclosed
WO-2016022890-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 — — 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 (1 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-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT TTBK1 2498/4885TTBK2 2277/4885KDR 3538/4885

“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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