SCHEMBL29470516

SCHEMBL29470516

Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN4CCN(S(C)(=O)=O)CC4)ccn3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
DYRK2 Q92630 2/20 0.48
LCK P06239 2/20 0.46
CDK6 Q00534 1/20 0.45
TBK1 Q9UHD2 8/20 0.42
CHEK1 O14757 1/20 0.42
ITK Q08881 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 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
SCHEMBL6125807 1.00 KDR (0.57) KDRDYRK2LCKCDK6TBK1
SCHEMBL6125764 0.91 KDR (0.49) KDRLCKTBK1ITK
SCHEMBL29470296 0.91 KDR (0.49) KDRLCKTBK1ITK
SCHEMBL8739539 0.91 KDR (0.47) KDRDYRK2LCKTBK1ITK
SCHEMBL8739692 0.90 KDR (0.49) KDRLCKTBK1ITK
SCHEMBL8738726 0.90 KDR (0.49) KDRLCKTBK1ITK
SCHEMBL8739138 0.89 LCK (0.55) KDRLCKTBK1CHEK1ITK
SCHEMBL15673350 0.87 KDR (0.57) KDRDYRK2LCKCDK6TBK1
SCHEMBL29470485 0.87 KDR (0.57) KDRDYRK2LCKCDK6TBK1
SCHEMBL8738793 0.87 CHEK1 (0.57) KDRDYRK2CDK6CHEK1ITK

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 KDR 4125/4885DYRK2 2424/4885LCK 212/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE KDR 4125/4885DYRK2 2424/4885LCK 212/4885

“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.