SCHEMBL21695763

SCHEMBL21695763

Cc1nnc(C(=O)Nc2cccc(C(C)C)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.52
▸ AKR1C3 P42330 1/20 0.49
▸ NR1I2 O75469 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ CBLB Q13191 2/20 0.45
▸ CA2 P00918 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL21695764 0.88 CBLB (0.42) FADS1NR1I2SMN1; SMN2CBLBMEN1
SCHEMBL21348773 0.83 KMT2A (0.56) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL18415349 0.80 MEN1 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL21348780 0.79 ALDH1A1 (0.57) AKR1C3NR1I2SMN1; SMN2MEN1KMT2A
SCHEMBL9978845 0.75 FADS1 (0.64) FADS1AKR1C3SMN1; SMN2CBLBCA2
SCHEMBL2096086 0.75 FADS1 (0.59) FADS1AKR1C3CA2MEN1KMT2A
SCHEMBL21695725 0.75 SMN1; SMN2 (0.69) FADS1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7773513 0.75 HPGD (0.68) FADS1AKR1C3SMN1; SMN2MEN1KMT2A
SCHEMBL22699673 0.75 FADS1 (0.59) FADS1AKR1C3SMN1; SMN2CA2BRAF
SCHEMBL23844177 0.74 FADS1 (0.62) FADS1SMN1; SMN2CBLBBRAFMEN1

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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 — — 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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 FADS1 4412/4885AKR1C3 2033/4885NR1I2 453/4885

“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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