SCHEMBL23906562

SCHEMBL23906562

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.49
▸ JAK2 O60674 6/20 0.46
▸ JAK3 P52333 5/20 0.46
▸ CDK4 P11802 9/20 0.45
▸ CCNE1 P24864 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CCND1 P24385 4/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CCNB1 P14635 3/20 0.45
▸ WEE1 P30291 1/20 0.43
▸ CDK6 Q00534 6/20 0.43
▸ CSF1R P07333 5/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ JAK1 P23458 2/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ EGFR P00533 1/20 0.41

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
SCHEMBL30086398 1.00 ACVR1 (0.49) ACVR1JAK2JAK3CDK4CCNE1
SCHEMBL23906708 0.91 JAK2 (0.56) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL30086462 0.91 JAK2 (0.56) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL30086569 0.90 JAK2 (0.47) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL23906266 0.90 JAK2 (0.47) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL23906917 0.90 JAK2 (0.51) JAK2JAK3CDK4CDK2CDK1
SCHEMBL30086450 0.90 JAK2 (0.51) JAK2JAK3CDK4CDK2CDK1
SCHEMBL23906269 0.88 WEE1 (0.45) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL30086504 0.88 WEE1 (0.45) ACVR1JAK2JAK3CDK4CDK2
SCHEMBL25220170 0.88 JAK3 (0.45) ACVR1JAK2JAK3CDK2BRD4

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

Send feedback