SCHEMBL29470528

SCHEMBL29470528

CN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.51
CDK7 P50613 1/20 0.51
USP30 Q70CQ3 4/20 0.46
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
PCSK9 Q8NBP7 1/20 0.43
OTUD7B Q6GQQ9 1/20 0.42
LCK P06239 3/20 0.42
ITK Q08881 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
MAP4K1 Q92918 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
SCHEMBL6125937 1.00 CHEK1 (0.51) CHEK1CDK7USP30WNT1GSK3B
SCHEMBL8739410 0.90 CHEK1 (0.64) CHEK1CDK7USP30OTUD7B
SCHEMBL6125914 0.89 CHEK1 (0.64) CHEK1CDK7USP30IKBKETBK1
SCHEMBL29470446 0.89 CHEK1 (0.64) CHEK1CDK7USP30IKBKETBK1
SCHEMBL8739703 0.89 CHEK1 (0.47) CHEK1CDK7USP30PCSK9OTUD7B
SCHEMBL29470559 0.89 CHEK1 (0.56) CHEK1CDK7USP30PCSK9OTUD7B
SCHEMBL15673198 0.89 CHEK1 (0.56) CHEK1CDK7USP30PCSK9OTUD7B
SCHEMBL29470283 0.87 CHEK1 (0.47) CHEK1CDK7USP30PCSK9OTUD7B
SCHEMBL6125647 0.87 CHEK1 (0.47) CHEK1CDK7USP30PCSK9OTUD7B
SCHEMBL20461863 0.87 CHEK1 (0.47) CHEK1CDK7USP30PCSK9OTUD7B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 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 (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-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885USP30 4536/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885USP30 4536/4885

“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.