SCHEMBL23183456

SCHEMBL23183456

CSc1[nH]c(=O)cc(C2CC2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.40
▸ JAK1 P23458 6/20 0.40
▸ JAK3 P52333 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TYK2 P29597 4/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ UPP1 Q16831 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PLAT P00750 2/20 0.36
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL20340146 0.78 KDM4E (0.60) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL4914260 0.77 TSHR (0.67) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL13991762 0.76 KDM4E (0.56) JAK2JAK1JAK3ALDH1A1TYK2
SCHEMBL23183522 0.75 JAK2 (0.41) JAK2JAK1JAK3ALDH1A1TSHR
SCHEMBL23183409 0.72 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL1694431 0.70 KDM4E (0.51) JAK2JAK1JAK3ALDH1A1TYK2
SCHEMBL23183455 0.70 ATM (0.54) ALDH1A1TSHRKDM4EHSD17B10HPGD
SCHEMBL20339831 0.70 KDM4E (0.51) JAK2JAK1JAK3ALDH1A1TYK2
SCHEMBL7291641 0.70 PKM (0.40) JAK2JAK1JAK3ALDH1A1TSHR
Morpholine SCHEMBL4918666 0.67 KDM4E (0.44) JAK2JAK1JAK3ALDH1A1TYK2

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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — US disclosed
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 — — 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-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, OTC, DDC JAK2 3351/4885JAK1 3692/4885JAK3 3805/4885
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 JAK2 3439/4885JAK1 3524/4885JAK3 3839/4885

“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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