SCHEMBL30086601

SCHEMBL30086601

Cc1cccc(-c2nccc(Nc3ccnc(Nc4cccc(CN5CCNCC5)c4)n3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.46
▸ BMPR1B O00238 1/20 0.46
▸ NUAK1 O60285 1/20 0.46
▸ SIK2 Q9H0K1 1/20 0.46
▸ JAK2 O60674 7/20 0.45
▸ JAK3 P52333 6/20 0.45
▸ CSF1R P07333 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ ULK2 Q8IYT8 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ ABL1 P00519 3/20 0.42
▸ KIT P10721 3/20 0.42
▸ BCR P11274 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ PLK4 O00444 2/20 0.42
▸ EGFR P00533 2/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ CAMK2D Q13557 1/20 0.39
▸ EPHB4 P54760 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
SCHEMBL23906679 1.00 ACVR1 (0.46) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL23906234 0.91 PLK4 (0.49) JAK2JAK3ABL1KITBCR
SCHEMBL30086466 0.91 PLK4 (0.49) JAK2JAK3ABL1KITBCR
SCHEMBL30086587 0.90 JAK2 (0.55) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL23906659 0.90 JAK2 (0.55) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL23906834 0.89 CSF1R (0.56) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL30086528 0.89 CSF1R (0.56) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL23906879 0.89 JAK2 (0.45) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL30086845 0.89 JAK2 (0.45) ACVR1BMPR1BNUAK1SIK2JAK2
SCHEMBL25222839 0.88 PLK4 (0.47) JAK2JAK3ABL1KITBCR

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 ACVR1 4/4885BMPR1B 140/4885NUAK1 2349/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 ACVR1 4/4885BMPR1B 140/4885NUAK1 2349/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ACVR1 4/4885BMPR1B 140/4885NUAK1 2349/4885

“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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