SCHEMBL25220925

SCHEMBL25220925

CC[C@H](C)OC(=O)C1CN(Cc2ccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)cc2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.36
▸ BCR P11274 5/20 0.36
▸ KIT P10721 4/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ JAK2 O60674 4/20 0.35
▸ JAK3 P52333 4/20 0.35
▸ F2 P00734 1/20 0.35
▸ ABL2 P42684 2/20 0.35
▸ PTK2 Q05397 1/20 0.34
▸ IGF1R P08069 4/20 0.33
▸ SYK P43405 3/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ PDGFRA P16234 2/20 0.33
▸ AURKA O14965 1/20 0.33

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 0.92 ABL1 (0.39) ABL1BCRKITLRRK2CDK4
SCHEMBL25703675 0.92 ABL1 (0.39) ABL1BCRKITLRRK2CDK4
SCHEMBL25268533 0.90 ABL1 (0.36) ABL1BCRKITLRRK2CDK4
SCHEMBL25222263 0.89 JAK2 (0.38) KITCDK4CCNA2CDK2CCNA1
SCHEMBL30086402 0.89 JAK2 (0.38) KITCDK4CCNA2CDK2CCNA1
SCHEMBL30086723 0.89 JAK2 (0.38) KITCDK4CCNA2CDK2CCNA1
SCHEMBL25258774 0.89 JAK2 (0.38) KITCDK4CCNA2CDK2CCNA1
SCHEMBL25258772 0.89 JAK2 (0.38) KITCDK4CCNA2CDK2CCNA1
SCHEMBL25271369 0.89 ABL1 (0.39) ABL1BCRKITLRRK2CDK4
SCHEMBL30086419 0.89 ABL1 (0.39) ABL1BCRKITLRRK2CDK4

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 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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