SCHEMBL30086388

SCHEMBL30086388

Cc1ccc(O)cc1-c1nccc(Nc2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.50
▸ JAK2 O60674 3/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ WEE1 P30291 3/20 0.47
▸ ALK Q9UM73 3/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47

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
SCHEMBL23906894 1.00 IGF1R (0.50) IGF1RJAK2JAK3EGFRCDK2
SCHEMBL23906563 0.90 IGF1R (0.63) IGF1RJAK2JAK3EGFRCDK2
SCHEMBL30086896 0.90 IGF1R (0.63) IGF1RJAK2JAK3EGFRCDK2
SCHEMBL30086783 0.86 IGF1R (0.48) IGF1RJAK2JAK3EGFRWEE1
SCHEMBL25217699 0.86 IGF1R (0.48) IGF1RJAK2JAK3EGFRWEE1
SCHEMBL23906830 0.86 IGF1R (0.47) IGF1RJAK2JAK3EGFRWEE1
SCHEMBL30086518 0.86 IGF1R (0.47) IGF1RJAK2JAK3EGFRWEE1
SCHEMBL23887622 0.84 JAK2 (0.51) IGF1RJAK2JAK3EGFRCDK2
SCHEMBL16752948 0.79 PLK4 (0.67) IGF1RJAK2JAK3EGFRCDK2
SCHEMBL23906666 0.79 PLK4 (0.48) IGF1RJAK2JAK3EGFRCDK2

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 IGF1R 558/4885JAK2 1187/4885JAK3 1474/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IGF1R 558/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885JAK2 1187/4885JAK3 1474/4885

“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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