SCHEMBL23906603

SCHEMBL23906603

CNC1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ EGFR P00533 2/20 0.49
▸ IGF1R P08069 4/20 0.48
▸ PLK4 O00444 2/20 0.48
▸ AURKA O14965 3/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ MAPK8 P45983 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ WEE1 P30291 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 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
SCHEMBL30086256 1.00 JAK2 (0.49) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL25263747 0.90 JAK2 (0.50) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL30086905 0.90 JAK2 (0.50) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL30086843 0.89 JAK2 (0.46) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL23906532 0.89 JAK2 (0.46) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL23906567 0.88 JAK2 (0.48) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL30086897 0.88 EGFR (0.48) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL23906612 0.88 EGFR (0.48) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL30086198 0.88 JAK2 (0.48) JAK2JAK3EGFRIGF1RPLK4
SCHEMBL25222783 0.87 JAK2 (0.48) JAK2JAK3EGFRIGF1RPLK4

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

“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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