SCHEMBL29802514

SCHEMBL29802514

Clc1ccc2ccn(Cc3cccs3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.38
▸ DRD5 P21918 3/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNN1 Q92952 1/20 0.36
▸ KCNN2 Q9H2S1 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ PNP P00491 2/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL23093159 1.00 DRD4 (0.38) DRD4DRD5DRD2DRD3HTT
SCHEMBL23093385 0.81 ALDH1A1 (0.36) DRD4DRD5DRD2DRD3HTT
SCHEMBL23093463 0.80 CYP1A2 (0.40) MAPTKDM4ETSHRHPGDHSD17B10
SCHEMBL23093442 0.78 FGFR1 (0.40) DRD4DRD5DRD2DRD3HTT
SCHEMBL29802502 0.78 FGFR1 (0.40) DRD4DRD5DRD2DRD3HTT
SCHEMBL30424558 0.78 KMT2A (0.48) KDM4EL3MBTL1KMT2A
SCHEMBL24334961 0.78 KMT2A (0.48) KDM4EL3MBTL1KMT2A
SCHEMBL29802500 0.77 NR3C1 (0.43) DRD4DRD5DRD2DRD3HTT
SCHEMBL23093119 0.77 NR3C1 (0.43) DRD4DRD5DRD2DRD3HTT
SCHEMBL1608324 0.74 HDAC6 (0.42) MAPTKDM4EHPGDHSD17B10SMN1; SMN2

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-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 — — US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 — — EP 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-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES DRD4 4446/4885DRD5 3241/4885DRD2 3343/4885

“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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