SCHEMBL17536998

SCHEMBL17536998

Cc1cc(Nc2ncc3c(=O)n(-c4ccccc4Cl)ccc3n2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.62
WEE1 P30291 11/20 0.55
CCND3 P30281 2/20 0.52
CCNK O75909 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CDK9 P50750 1/20 0.52
CDK6 Q00534 1/20 0.52
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCND2 P30279 1/20 0.47
EGFR P00533 5/20 0.47
CSF1R P07333 4/20 0.47

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
SCHEMBL17536951 0.93 KCNH2 (0.73) KCNH2WEE1CCND3CCNKCCNA2
SCHEMBL17536955 0.91 KCNH2 (0.67) KCNH2WEE1EGFRCSF1R
SCHEMBL17536949 0.87 WEE1 (0.67) KCNH2WEE1CCND3CCNKCCNA2
SCHEMBL17536952 0.85 WEE1 (0.64) KCNH2WEE1CCND3CCNKCCNA2
SCHEMBL16176028 0.84 KCNH2 (0.85) KCNH2WEE1CCND3CDK4CCND1
SCHEMBL17536965 0.84 WEE1 (0.78) KCNH2WEE1
SCHEMBL17536981 0.83 WEE1 (0.62) KCNH2WEE1
SCHEMBL2480133 0.83 CCND3 (0.51) KCNH2WEE1CCND3CCNKCCNA2
SCHEMBL17536956 0.83 KCNH2 (0.79) KCNH2WEE1EGFR
SCHEMBL17536947 0.82 WEE1 (0.79) KCNH2WEE1CCND3CCNKCCNA2

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-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
EP-2984090-B1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-05-31 EP disclosed
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 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 (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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 KCNH2 3746/4885WEE1 1/4885CCND3 611/4885

“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.