SCHEMBL30086896

SCHEMBL30086896

Cc1ccc(O)cc1-c1nccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.63
▸ PLK4 O00444 2/20 0.59
▸ JAK2 O60674 6/20 0.57
▸ PLK1 P53350 1/20 0.55
▸ AURKA O14965 3/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ JAK3 P52333 3/20 0.51
▸ EPHB4 P54760 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PKMYT1 Q99640 1/20 0.48
▸ EGFR P00533 2/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ CDK2 P24941 1/20 0.48

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
SCHEMBL23906563 1.00 IGF1R (0.63) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL23906894 0.90 IGF1R (0.50) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL30086388 0.90 IGF1R (0.50) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL30086783 0.87 IGF1R (0.48) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL25217699 0.87 IGF1R (0.48) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL23906830 0.87 IGF1R (0.47) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL30086518 0.87 IGF1R (0.47) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL23887622 0.84 JAK2 (0.51) IGF1RPLK4JAK2JAK3EGFR
SCHEMBL25709028 0.79 IGF1R (0.76) IGF1RPLK4JAK2PLK1AURKA
SCHEMBL23906531 0.79 PLK4 (0.61) IGF1RPLK4JAK2PLK1AURKA

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 558/4885PLK4 1890/4885JAK2 1187/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 IGF1R 558/4885PLK4 1890/4885JAK2 1187/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 IGF1R 558/4885PLK4 1890/4885JAK2 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.

Send feedback