SCHEMBL23906605

SCHEMBL23906605

CN1CCN(C2CCN(c3ccc(Nc4nccc(Nc5ccnc(-c6cc(Cl)c(F)cc6F)n5)n4)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.51
▸ EGFR P00533 6/20 0.50
▸ JAK2 O60674 3/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ IGF1R P08069 5/20 0.44
▸ ALK Q9UM73 3/20 0.44
▸ INSR P06213 2/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ ACVR1 Q04771 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ WEE1 P30291 1/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK6 Q00534 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
SCHEMBL30086559 1.00 BRD4 (0.51) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL23906578 0.93 AURKA (0.45) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL30086454 0.93 AURKA (0.45) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL30086282 0.92 JAK2 (0.51) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL23906621 0.92 JAK2 (0.51) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL23906262 0.87 EGFR (0.51) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL30086709 0.87 EGFR (0.51) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL23906607 0.86 AXL (0.46) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL30086484 0.86 AXL (0.46) BRD4EGFRJAK2JAK3IGF1R
SCHEMBL23906723 0.85 IGF1R (0.46) BRD4EGFRJAK2JAK3IGF1R

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 BRD4 3531/4885EGFR 545/4885JAK2 1187/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 BRD4 3531/4885EGFR 545/4885JAK2 1187/4885

“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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