SCHEMBL25170463

SCHEMBL25170463

Cc1cn2c(n1)CCC(C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ P2RX7 Q99572 1/20 0.37
▸ NOTUM Q6P988 11/20 0.36
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33

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
SCHEMBL408206 0.82 P2RX7 (0.36) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL463267 0.77 WDR5 (0.52) KDM4EKMT2AMEN1ALDH1A1P2RX7
Hydrochloric Acid SCHEMBL440262 0.76 WDR5 (0.51) KDM4EKMT2AMEN1ALDH1A1P2RX7
SCHEMBL29119706 0.75 KDM4E (0.48) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL25104385 0.73 HRH3 (0.33) —
SCHEMBL26299381 0.71 RIPK1 (0.32) —
SCHEMBL17338866 0.71 PDPK1 (0.41) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8985233 0.71 ADRA1A (0.53) KDM4ENOTUMGABRPGABRDGABRA1
SCHEMBL23553028 0.70 SPR (0.33) P2RX7
Hydrochloric Acid SCHEMBL31132960 0.70 ADRA1A (0.51) KDM4ENOTUMGABRPGABRDGABRA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 — — 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 (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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3590/4885HSD17B10 3487/4885KMT2A 3560/4885

“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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