SCHEMBL23607121

SCHEMBL23607121

O=C(Nc1nc2cc(N3CCNCC3)ccc2s1)c1ncccc1O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.51
▸ LRRK2 Q5S007 6/20 0.44
▸ PIM1 P11309 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ HDAC3 O15379 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TOP1 P11387 2/20 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
SCHEMBL23607117 0.85 NPC1 (0.51) ATRLRRK2HDAC3HDAC1HDAC2
SCHEMBL23607120 0.77 TOP1 (0.61) KDM4ETOP1
SCHEMBL21186171 0.76 NPC1 (0.62) —
SCHEMBL23607128 0.76 PIM1 (0.46) PIM1HDAC3HDAC1HDAC2KDM4E
SCHEMBL25131885 0.74 KDM4E (0.52) ATRPIM1PRKCIHDAC3HDAC1
SCHEMBL13328295 0.73 LRRK2 (0.78) ATRLRRK2KDM4ETOP1
SCHEMBL30961700 0.72 RAB9A (0.54) ATRLRRK2KDM4ETOP1
SCHEMBL22130324 0.72 NPC1 (0.53) KDM4E
SCHEMBL31219257 0.72 NPC1 (0.53) KDM4E
SCHEMBL23607123 0.71 PRKCA (0.48) PIM1

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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
WO-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — WO 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 (1 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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF SMARCC1, SMARCE1, SMARCA1 ATR 231/4885LRRK2 2389/4885PIM1 1216/4885

“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.

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