SCHEMBL23906914

SCHEMBL23906914

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(F)c(CN5CCN(C)CC5)c4)n3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ EGFR P00533 2/20 0.46
▸ ABL1 P00519 8/20 0.45
▸ BCR P11274 7/20 0.45
▸ LYN P07948 3/20 0.45
▸ AXL P30530 4/20 0.42
▸ PDGFRB P09619 2/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL30086809 1.00 JAK2 (0.46) JAK2JAK3EGFRABL1BCR
SCHEMBL23906598 0.91 JAK2 (0.48) JAK2JAK3EGFRABL1BCR
SCHEMBL30086836 0.91 JAK2 (0.48) JAK2JAK3EGFRABL1BCR
SCHEMBL30086340 0.91 IKBKB (0.39) JAK2JAK3EGFRABL1BCR
SCHEMBL23906828 0.91 IKBKB (0.39) JAK2JAK3EGFRABL1BCR
SCHEMBL30086880 0.91 JAK2 (0.38) JAK2JAK3EGFRABL1BCR
SCHEMBL23906690 0.91 JAK2 (0.38) JAK2JAK3EGFRABL1BCR
SCHEMBL25223519 0.90 JAK2 (0.46) JAK2JAK3EGFRABL1BCR
SCHEMBL30086649 0.90 JAK2 (0.46) JAK2JAK3EGFRABL1BCR
SCHEMBL23906659 0.86 JAK2 (0.55) JAK2JAK3EGFRABL1BCR

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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