SCHEMBL23906896

SCHEMBL23906896

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CC(CN)C5)cc4)n3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.45
▸ EGFR P00533 3/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ IGF1R P08069 4/20 0.43
▸ PLK4 O00444 2/20 0.43
▸ WEE1 P30291 2/20 0.40
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ TGFBR1 P36897 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
SCHEMBL30086615 1.00 JAK2 (0.45) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25222783 0.91 JAK2 (0.48) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086368 0.91 JAK2 (0.48) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086594 0.90 JAK2 (0.47) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25255420 0.90 JAK2 (0.47) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL23906845 0.86 WEE1 (0.49) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25273400 0.86 WEE1 (0.49) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL30086977 0.86 WEE1 (0.49) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25268367 0.85 ACVR1 (0.47) JAK2EGFRJAK3IGF1RPLK4
SCHEMBL25218727 0.85 ACVR1 (0.47) JAK2EGFRJAK3IGF1RPLK4

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 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885EGFR 545/4885JAK3 1474/4885

“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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