SCHEMBL30086340

SCHEMBL30086340

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ ABL1 P00519 4/20 0.39
▸ BCR P11274 3/20 0.39
▸ KIT P10721 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LYN P07948 1/20 0.37
▸ TGFBR1 P36897 3/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ ABL2 P42684 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 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
SCHEMBL23906828 1.00 IKBKB (0.39) IKBKBCHUKABL1BCRKIT
SCHEMBL23906606 0.92 ABL1 (0.42) ABL1BCRKITLRRK2JAK2
SCHEMBL30086298 0.92 ABL1 (0.42) ABL1BCRKITLRRK2JAK2
SCHEMBL30086809 0.91 JAK2 (0.46) ABL1BCRKITJAK2JAK3
SCHEMBL23906914 0.91 JAK2 (0.46) ABL1BCRKITJAK2JAK3
SCHEMBL23906690 0.90 JAK2 (0.38) ABL1BCRJAK2JAK3EGFR
SCHEMBL30086470 0.90 ABL1 (0.40) ABL1BCRKITLRRK2JAK2
SCHEMBL25215606 0.90 ABL1 (0.40) ABL1BCRKITLRRK2JAK2
SCHEMBL30086880 0.90 JAK2 (0.38) ABL1BCRJAK2JAK3EGFR
SCHEMBL23906887 0.87 EGFR (0.37) ABL1BCRJAK2JAK3EGFR

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 3 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-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — US 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IKBKB 358/4885CHUK 143/4885ABL1 124/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IKBKB 358/4885CHUK 143/4885ABL1 124/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IKBKB 358/4885CHUK 143/4885ABL1 124/4885

“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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