SCHEMBL23906606

SCHEMBL23906606

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(C)c(CN5CCNCC5)c4)n3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 8/20 0.42
▸ BCR P11274 6/20 0.42
▸ KIT P10721 4/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ ABL2 P42684 2/20 0.40
▸ JAK2 O60674 3/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ KDR P35968 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PLK4 O00444 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ LYN P07948 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL30086298 1.00 ABL1 (0.42) ABL1BCRKITLRRK2ABL2
SCHEMBL30086340 0.92 IKBKB (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL30086470 0.92 ABL1 (0.40) ABL1BCRKITLRRK2ABL2
SCHEMBL23906828 0.92 IKBKB (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL25215606 0.92 ABL1 (0.40) ABL1BCRKITLRRK2ABL2
SCHEMBL23906598 0.90 JAK2 (0.48) ABL1BCRKITABL2JAK2
SCHEMBL30086836 0.90 JAK2 (0.48) ABL1BCRKITABL2JAK2
SCHEMBL23906678 0.90 JAK2 (0.40) ABL1BCRJAK2JAK3KDR
SCHEMBL30086713 0.90 JAK2 (0.40) ABL1BCRJAK2JAK3KDR
SCHEMBL23906679 0.88 ACVR1 (0.46) ABL1BCRKITLRRK2ABL2

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 ABL1 124/4885BCR 447/4885KIT 58/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ABL1 124/4885BCR 447/4885KIT 58/4885

“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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