SCHEMBL23906708

SCHEMBL23906708

Cc1cccc(-c2nccc(Nc3ccnc(Nc4ccc(N5CCNCC5)c(C)c4)n3)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.56
▸ JAK3 P52333 3/20 0.56
▸ ACVR1 Q04771 2/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ WEE1 P30291 3/20 0.44
▸ EGFR P00533 1/20 0.42
▸ KARS1 Q15046 3/20 0.42
▸ CACNA1C Q13936 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41
▸ CAMK2D Q13557 1/20 0.41
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CDK4 P11802 1/20 0.39

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
SCHEMBL30086462 1.00 JAK2 (0.56) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL23906266 0.92 JAK2 (0.47) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL30086569 0.92 JAK2 (0.47) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL30086398 0.91 ACVR1 (0.49) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL23906562 0.91 ACVR1 (0.49) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL23906269 0.90 WEE1 (0.45) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL30086504 0.90 WEE1 (0.45) JAK2JAK3ACVR1KCNH2WEE1
SCHEMBL25263571 0.87 CAMK2D (0.53) JAK2JAK3EGFRKARS1CAMK2D
SCHEMBL30086420 0.87 CAMK2D (0.53) JAK2JAK3EGFRKARS1CAMK2D
SCHEMBL23887589 0.87 JAK2 (0.52) JAK2JAK3ACVR1KCNH2WEE1

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 JAK2 1187/4885JAK3 1474/4885ACVR1 4/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 JAK2 1187/4885JAK3 1474/4885ACVR1 4/4885

“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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