SCHEMBL23906593

SCHEMBL23906593

COc1cc(N2CCOCC2)ccc1Nc1nccc(Nc2ccnc(-c3cccc(C)n3)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.56
▸ ALK Q9UM73 3/20 0.54
▸ INSR P06213 2/20 0.54
▸ LRRK2 Q5S007 3/20 0.52
▸ TTK P33981 4/20 0.52
▸ ULK1 O75385 2/20 0.51
▸ PTK2 Q05397 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ DCLK1 O15075 1/20 0.49
▸ MAPK7 Q13164 1/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ STK4 Q13043 1/20 0.48
▸ STK3 Q13188 1/20 0.48
▸ SIK2 Q9H0K1 1/20 0.48
▸ STK26 Q9P289 1/20 0.48
▸ STK24 Q9Y6E0 1/20 0.48
▸ TNK2 Q07912 1/20 0.47
▸ ZAP70 P43403 1/20 0.47

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
SCHEMBL30086534 1.00 EGFR (0.56) EGFRALKINSRLRRK2TTK
SCHEMBL30086686 0.88 IGF1R (0.50) EGFRIGF1R
SCHEMBL30086958 0.88 IGF1R (0.50) EGFRIGF1R
SCHEMBL23906833 0.88 IGF1R (0.50) EGFRIGF1R
SCHEMBL23906697 0.88 IGF1R (0.50) EGFRIGF1R
SCHEMBL23887678 0.85 PLK4 (0.65) EGFRINSRTTKPTK2FGFR3
SCHEMBL30086328 0.85 PLK4 (0.65) EGFRINSRTTKPTK2FGFR3
SCHEMBL23906239 0.83 IGF1R (0.63) IGF1RZAP70
SCHEMBL30086558 0.83 IGF1R (0.63) IGF1RZAP70
SCHEMBL23906230 0.82 CDK4 (0.51) EGFRIGF1R

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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — 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 (2 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 EGFR 545/4885ALK 1/4885INSR 477/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 EGFR 545/4885ALK 1/4885INSR 477/4885

“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.

Send feedback