SCHEMBL23906724

SCHEMBL23906724

CN(C)C1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)n4)n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.48
▸ BRD4 O60885 4/20 0.48
▸ IGF1R P08069 3/20 0.46
▸ WEE1 P30291 2/20 0.46
▸ EGFR P00533 6/20 0.45
▸ AXL P30530 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ CTSC P53634 1/20 0.41

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
SCHEMBL30086522 1.00 JAK2 (0.48) JAK2BRD4IGF1RWEE1EGFR
SCHEMBL23906607 0.91 AXL (0.46) JAK2BRD4IGF1RWEE1EGFR
SCHEMBL30086484 0.91 AXL (0.46) JAK2BRD4IGF1RWEE1EGFR
SCHEMBL30086287 0.89 IGF1R (0.46) JAK2BRD4IGF1RWEE1EGFR
SCHEMBL23906843 0.89 IGF1R (0.46) JAK2BRD4IGF1RWEE1EGFR
SCHEMBL23906723 0.87 IGF1R (0.46) JAK2BRD4IGF1REGFRJAK3
SCHEMBL30086424 0.87 IGF1R (0.46) JAK2BRD4IGF1REGFRJAK3
SCHEMBL23906621 0.85 JAK2 (0.51) JAK2BRD4IGF1REGFRJAK3
SCHEMBL30086282 0.85 JAK2 (0.51) JAK2BRD4IGF1REGFRJAK3
SCHEMBL23906666 0.84 PLK4 (0.48) JAK2BRD4IGF1RWEE1EGFR

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 1187/4885BRD4 3531/4885IGF1R 558/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885BRD4 3531/4885IGF1R 558/4885

“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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