SCHEMBL29470296

SCHEMBL29470296

Cc1[nH]ncc1-c1ccc2nc(Nc3cc(CN4CCCC4)ccn3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
LCK P06239 2/20 0.47
TBK1 Q9UHD2 12/20 0.44
ITK Q08881 1/20 0.43
ILK Q13418 1/20 0.42

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
SCHEMBL6125764 1.00 KDR (0.49) KDRLCKTBK1ITKILK
SCHEMBL8738726 0.99 KDR (0.49) KDRLCKTBK1ITKILK
SCHEMBL8739692 0.99 KDR (0.49) KDRLCKTBK1ITKILK
SCHEMBL8739539 0.98 KDR (0.47) KDRLCKTBK1ITK
SCHEMBL8739138 0.93 LCK (0.55) KDRLCKTBK1ITKILK
SCHEMBL29470516 0.91 KDR (0.57) KDRLCKTBK1ITK
SCHEMBL6125807 0.91 KDR (0.57) KDRLCKTBK1ITK
SCHEMBL8738692 0.90 LCK (0.46) KDRLCKTBK1ITK
SCHEMBL29470335 0.89 ROCK2 (0.44) KDRLCKTBK1ITK
SCHEMBL8738766 0.89 ROCK2 (0.44) KDRLCKTBK1ITK

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 4125/4885LCK 212/4885TBK1 2106/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE KDR 4125/4885LCK 212/4885TBK1 2106/4885

“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.