SCHEMBL29470541

SCHEMBL29470541

c1cc(CN2CCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
USP30 Q70CQ3 4/20 0.49
LCK P06239 7/20 0.44
PCSK9 Q8NBP7 1/20 0.43
OTUD7B Q6GQQ9 1/20 0.42
ITK Q08881 5/20 0.42
ROCK2 O75116 1/20 0.42
CHEK1 O14757 1/20 0.41
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL6125718 1.00 KDR (0.49) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL29470482 0.98 KDR (0.52) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL6125675 0.98 KDR (0.52) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL8739127 0.97 KDR (0.51) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL20461981 0.92 USP30 (0.47) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL20461980 0.90 TBK1 (0.48) KDRUSP30LCKPCSK9OTUD7B
SCHEMBL8739542 0.89 LCK (0.45) KDRUSP30LCKPCSK9ITK
SCHEMBL20055933 0.88 KDR (0.47) KDRUSP30LCKTBK1
SCHEMBL29470485 0.88 KDR (0.57) KDRUSP30LCKITKROCK2
SCHEMBL15673350 0.88 KDR (0.57) KDRUSP30LCKITKROCK2

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 4125/4885USP30 4536/4885LCK 212/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE KDR 4125/4885USP30 4536/4885LCK 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.