SCHEMBL30086504

SCHEMBL30086504

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ CSF1R P07333 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ TBK1 Q9UHD2 2/20 0.41
▸ CCNA2 P20248 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNA1 P78396 3/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40

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
SCHEMBL23906269 1.00 WEE1 (0.45) WEE1JAK2JAK3CSF1RCDK4
SCHEMBL23906708 0.90 JAK2 (0.56) WEE1JAK2JAK3CDK4CCNA2
SCHEMBL30086462 0.90 JAK2 (0.56) WEE1JAK2JAK3CDK4CCNA2
SCHEMBL30086569 0.89 JAK2 (0.47) WEE1JAK2JAK3CDK4CCNA2
SCHEMBL23906266 0.89 JAK2 (0.47) WEE1JAK2JAK3CDK4CCNA2
SCHEMBL23906562 0.88 ACVR1 (0.49) WEE1JAK2JAK3CSF1RCDK4
SCHEMBL30086398 0.88 ACVR1 (0.49) WEE1JAK2JAK3CSF1RCDK4
SCHEMBL25269933 0.85 JAK2 (0.42) WEE1JAK2JAK3CCNA2CDK2
SCHEMBL30086926 0.85 JAK2 (0.42) WEE1JAK2JAK3CCNA2CDK2
SCHEMBL25263571 0.84 CAMK2D (0.53) JAK2JAK3CCNA2CDK2CCNA1

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 3 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
US-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-11-24 — — 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 (3 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-20220372015-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885
US-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 1187/4885JAK3 1474/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 WEE1 715/4885JAK2 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.

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