SCHEMBL25703675

SCHEMBL25703675

COC(=O)[C@H]1CN(Cc2ccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)cc2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.39
▸ BCR P11274 4/20 0.39
▸ KIT P10721 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ ABL2 P42684 1/20 0.37
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ AURKA O14965 4/20 0.36
▸ IGF1R P08069 5/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CDK4 P11802 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL25703588 1.00 ABL1 (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL30086419 0.92 ABL1 (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL30086685 0.92 ABL1 (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL25219342 0.92 ABL1 (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL25271369 0.92 ABL1 (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL25220925 0.92 ABL1 (0.36) ABL1BCRKITLRRK2ABL2
SCHEMBL25268533 0.92 ABL1 (0.36) ABL1BCRKITLRRK2ABL2
SCHEMBL30086891 0.91 IGF1R (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL30086639 0.91 IGF1R (0.39) ABL1BCRKITLRRK2ABL2
SCHEMBL25222023 0.91 IGF1R (0.39) ABL1BCRKITLRRK2ABL2

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 2 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

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 ABL1 124/4885BCR 447/4885KIT 58/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 ABL1 124/4885BCR 447/4885KIT 58/4885

“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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