SCHEMBL30086287

SCHEMBL30086287

CNC1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)n4)n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.46
▸ EGFR P00533 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PLK4 O00444 4/20 0.44
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ EIF2AK2 P19525 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ EPHB4 P54760 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ ALK Q9UM73 1/20 0.40
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL23906843 1.00 IGF1R (0.46) IGF1REGFRJAK2JAK3BRD4
SCHEMBL23906876 0.89 PLK4 (0.50) IGF1REGFRJAK2JAK3BRD4
SCHEMBL30086415 0.89 PLK4 (0.50) IGF1REGFRJAK2JAK3BRD4
SCHEMBL30086522 0.89 JAK2 (0.48) IGF1REGFRJAK2JAK3BRD4
SCHEMBL23906724 0.89 JAK2 (0.48) IGF1REGFRJAK2JAK3BRD4
SCHEMBL23906723 0.88 IGF1R (0.46) IGF1REGFRJAK2JAK3BRD4
SCHEMBL30086424 0.88 IGF1R (0.46) IGF1REGFRJAK2JAK3BRD4
SCHEMBL23906621 0.86 JAK2 (0.51) IGF1REGFRJAK2JAK3BRD4
SCHEMBL30086282 0.86 JAK2 (0.51) IGF1REGFRJAK2JAK3BRD4
SCHEMBL23906666 0.85 PLK4 (0.48) IGF1REGFRJAK2JAK3BRD4

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 558/4885EGFR 545/4885JAK2 1187/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IGF1R 558/4885EGFR 545/4885JAK2 1187/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885EGFR 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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