SCHEMBL29470534

SCHEMBL29470534

O=C(NC1CCNC1)c1cccc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
LCK P06239 6/20 0.44
ITK Q08881 6/20 0.44
ROCK2 O75116 4/20 0.43
USP30 Q70CQ3 5/20 0.42
OTUD7B Q6GQQ9 1/20 0.42
FLT3 P36888 1/20 0.41
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.39

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
SCHEMBL15673229 1.00 PIK3CD (0.44) PIK3CDLCKITKROCK2USP30
SCHEMBL8739811 0.88 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL29470391 0.88 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL15673410 0.86 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL29470459 0.85 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL15673378 0.85 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL8739830 0.85 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL15673347 0.85 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL29470323 0.85 LCK (0.43) LCKITKROCK2USP30OTUD7B
SCHEMBL15673489 0.82 LCK (0.44) LCKITKROCK2USP30OTUD7B

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 PIK3CD 3580/4885LCK 212/4885ITK 829/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CD 3580/4885LCK 212/4885ITK 829/4885

“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.