SCHEMBL25217699

SCHEMBL25217699

CNC1CCN(c2ccc(Nc3nccc(Nc4ccnc(-c5cc(O)ccc5C)n4)n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.48
▸ JAK2 O60674 5/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ EGFR P00533 2/20 0.45
▸ PLK4 O00444 1/20 0.43
▸ AURKA O14965 3/20 0.42
▸ PLK1 P53350 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ YES1 P07947 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ FGR P09769 1/20 0.40
▸ EPHA1 P21709 1/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ EPHA3 P29320 1/20 0.40
▸ EPHB2 P29323 1/20 0.40
▸ CSK P41240 1/20 0.40
▸ TXK P42681 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
SCHEMBL30086783 1.00 IGF1R (0.48) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL23906830 0.89 IGF1R (0.47) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL30086518 0.89 IGF1R (0.47) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL30086896 0.87 IGF1R (0.63) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL23906563 0.87 IGF1R (0.63) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL23906894 0.86 IGF1R (0.50) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL30086388 0.86 IGF1R (0.50) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL23887622 0.86 JAK2 (0.51) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL23906843 0.81 IGF1R (0.46) IGF1RJAK2JAK3EGFRPLK4
SCHEMBL30086287 0.81 IGF1R (0.46) IGF1RJAK2JAK3EGFRPLK4

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 4 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

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 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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