SCHEMBL21572256

SCHEMBL21572256

C=C(C#N)C(=O)c1cc2cc(NS(C)(=O)=O)c(OC)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 8/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP2 P08253 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 5/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 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
SCHEMBL21572530 0.96 KMT2A (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL21572202 0.84 MMP2 (0.38) KMT2AMEN1ALDH1A1MMP2MMP13
SCHEMBL18332094 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL20084843 0.81 MEN1 (0.38) KMT2AMEN1ALDH1A1MMP13RXFP1
SCHEMBL18332092 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL21572135 0.78 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL18332517 0.78 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL20084046 0.78 GRIN2D (0.41) KMT2AMEN1RXFP1SRD5A1SRD5A2
SCHEMBL16402131 0.77 SRD5A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2
SCHEMBL18332088 0.77 MMP13 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2MMP2

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-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 KMT2A 1100/4885MEN1 3006/4885ALDH1A1 1534/4885

“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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