SCHEMBL30086709

SCHEMBL30086709

CN1CCN(C2CCN(c3ccc(Nc4nccc(Nc5ccnc(-c6ccccc6F)n5)n4)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.51
▸ JAK2 O60674 5/20 0.51
▸ JAK3 P52333 3/20 0.51
▸ PLK4 O00444 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ PTK2 Q05397 2/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ MKNK1 Q9BUB5 2/20 0.45
▸ ALK Q9UM73 2/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ MET P08581 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPK9 P45984 1/20 0.45

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
SCHEMBL23906262 1.00 EGFR (0.51) EGFRJAK2JAK3PLK4BRD4
SCHEMBL23906621 0.90 JAK2 (0.51) EGFRJAK2JAK3PLK4BRD4
SCHEMBL30086282 0.90 JAK2 (0.51) EGFRJAK2JAK3PLK4BRD4
SCHEMBL30086559 0.87 BRD4 (0.51) EGFRJAK2JAK3BRD4CDK4
SCHEMBL23906605 0.87 BRD4 (0.51) EGFRJAK2JAK3BRD4CDK4
SCHEMBL23906876 0.86 PLK4 (0.50) EGFRJAK2JAK3PLK4BRD4
SCHEMBL30086415 0.86 PLK4 (0.50) EGFRJAK2JAK3PLK4BRD4
SCHEMBL23906638 0.85 EGFR (0.49) EGFRJAK2JAK3PLK4BRD4
SCHEMBL30086668 0.85 EGFR (0.49) EGFRJAK2JAK3PLK4BRD4
SCHEMBL23906540 0.83 EGFR (0.55) EGFRJAK2JAK3PLK4BRD4

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 EGFR 545/4885JAK2 1187/4885JAK3 1474/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 EGFR 545/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 EGFR 545/4885JAK2 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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