SCHEMBL7080408

SCHEMBL7080408

C=C(CSCC(=C)c1ncc(C(C)(C)C)o1)c1ncc(C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.33
CCNB2 O95067 2/20 0.32
CCNE2 O96020 2/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCNB1 P14635 2/20 0.32
CCND1 P24385 2/20 0.32
CCNE1 P24864 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32

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
SCHEMBL5237928 0.68 MEN1 (0.44) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL7142719 0.68 CDK2 (0.32) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL5339140 0.67 L3MBTL1 (0.34) CDK2
SCHEMBL5346225 0.67 L3MBTL1 (0.46) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL1983579 0.67 KDM4E (0.42) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL7142710 0.67 FAAH (0.37) CDK2CCNB2CCNE2CDK1CDK4
Potassium Ion SCHEMBL25246615 0.66 MEN1 (0.34) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL1980103 0.64 MAPK1 (0.49)
SCHEMBL7142705 0.63 L3MBTL1 (0.35) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL17801609 0.62 CDK2 (0.34) CDK2

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-6534531-B2 Thiazole derivatives BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US disclosed
EP-1282419-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-12 EP disclosed
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 US disclosed
WO-2001080813-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 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 (1 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-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy NR5A1, CYP17A1, CYP21A2 CDK2 2778/4885CCNB2 524/4885CCNE2 1200/4885

“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.