SCHEMBL20681941

SCHEMBL20681941

CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C(CN)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 1/20 0.50
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ FAAH O00519 1/20 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
SCHEMBL18361748 0.86 SMN1; SMN2 (0.50) SMN1; SMN2POLBTDP1MAPTTP53
Hydrochloric Acid SCHEMBL30622979 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL18361784 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBTDP1MAPTTP53
SCHEMBL16700430 0.76 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1MAPTALDH1A1
SCHEMBL18350262 0.75 SMN1; SMN2 (0.38) SMN1; SMN2POLBTDP1MAPTTP53
SCHEMBL14132421 0.73 LMNA (0.70) SMN1; SMN2POLBTDP1MAPTTP53
SCHEMBL16700446 0.73 TEAD2 (0.41) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL25433844 0.73 POLB (0.64) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL2173892 0.73 TSHR (0.57) SMN1; SMN2POLBTDP1MAPTTP53
SCHEMBL5022767 0.72 TSHR (0.58) SMN1; SMN2POLBTDP1MAPTTP53

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-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-29 — — 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-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity ENPP2, PRTN3, TPX2 SMN1; SMN2 4197/4885POLB 3171/4885TDP1 913/4885

“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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