SCHEMBL23906530

SCHEMBL23906530

CC(=O)N1CCN(c2cccc(Nc3nccc(Nc4ccnc(-c5cccc(C)n5)n4)n3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.57
▸ CDK9 P50750 11/20 0.57
▸ CCNT1 O60563 10/20 0.57
▸ CCNA2 P20248 10/20 0.57
▸ CDK1 P06493 7/20 0.54
▸ CCNB1 P14635 6/20 0.54
▸ FLT3 P36888 4/20 0.54
▸ CDK7 P50613 5/20 0.53
▸ CCNH P51946 4/20 0.53
▸ CCNE1 P24864 1/20 0.53
▸ MNAT1 P51948 1/20 0.53
▸ ALK Q9UM73 1/20 0.51
▸ JAK2 O60674 3/20 0.48
▸ CCNA1 P78396 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL30086561 1.00 CDK2 (0.57) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL23906671 0.91 CDK2 (0.56) CDK2CDK9CDK1CCNB1FLT3
SCHEMBL30086876 0.91 CDK2 (0.56) CDK2CDK9CDK1CCNB1FLT3
SCHEMBL30086477 0.88 JAK2 (0.61) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL23906595 0.88 JAK2 (0.61) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL25263571 0.85 CAMK2D (0.53) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL30086420 0.85 CAMK2D (0.53) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL23906667 0.81 CCNT1 (0.51) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL30086644 0.81 CCNT1 (0.51) CDK2CDK9CCNT1CCNA2CDK1
SCHEMBL23906836 0.81 IKBKB (0.48) CDK2CDK9CDK1FLT3CDK7

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 5 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
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — WO 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 CDK2 258/4885CDK9 654/4885CCNT1 3623/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CDK2 258/4885CDK9 654/4885CCNT1 3623/4885

“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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