SCHEMBL19033752

SCHEMBL19033752

COc1cc(C)c(Nc2nc(C)nc3[nH]ccc23)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.44
▸ TTBK1 Q5TCY1 4/20 0.42
▸ TTBK2 Q6IQ55 4/20 0.42
▸ KDR P35968 3/20 0.40
▸ EGFR P00533 2/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35

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 0.84 ADRA2A (0.53) SYKTTBK1TTBK2KDREGFR
SCHEMBL17528582 0.81 TTBK1 (0.64) TTBK1TTBK2KDREGFRPDGFRB
SCHEMBL19033044 0.75 KDR (0.44) KDREGFRPDGFRBADRA2AADRA2C
SCHEMBL19033751 0.74 CRHR1 (0.39) KDREGFRPDGFRBBTK
SCHEMBL12736495 0.71 SYK (0.42) SYKTTBK1TTBK2KDREGFR
SCHEMBL18540801 0.70 TTK (0.47) SYKKDREGFRPDGFRBMAP4K1
SCHEMBL27393525 0.70 DYRK1A (0.44) TTBK1TTBK2MKNK1MKNK2
SCHEMBL17528583 0.69 KDR (0.48) KDREGFRPDGFRBADRA2AADRA2C
SCHEMBL27392791 0.67 JAK2 (0.44) SYKKDREGFRPDGFRBTGFBR1
SCHEMBL17528557 0.66 BRD4 (0.37) KDREGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-07 — — US disclosed
US-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-11-26 — — US disclosed
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

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-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, TYMP, TPMT SYK 821/4885TTBK1 1071/4885TTBK2 950/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT SYK 738/4885TTBK1 2498/4885TTBK2 2277/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT SYK 821/4885TTBK1 1071/4885TTBK2 950/4885

“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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