Sugi Predict

Sugi Predict / Compounds / SCHEMBL9972884

SCHEMBL9972884

SCHEMBL9972884

Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL17626177 0.83 KMT2A (0.49) KMT2ARXFP1MAPK1SMN1; SMN2HTT
SCHEMBL17626175 0.83 KMT2A (0.49) KMT2ARXFP1MAPK1SMN1; SMN2HTT
SCHEMBL2704481 0.80 KMT2A (0.59) KMT2ARXFP1MAPK1ALDH1A1MEN1
SCHEMBL17636794 0.78 KMT2A (0.46) KMT2ARXFP1MAPK1LMNAALDH1A1
SCHEMBL4379838 0.76 TSHR (0.57) KMT2ARXFP1MAPK1SMN1; SMN2HTT
SCHEMBL31575412 0.75 ADORA2B (0.60) KMT2ARXFP1MAPK1ALDH1A1MEN1
SCHEMBL2403877 0.74 ADORA2B (0.69) KMT2ARXFP1MAPK1ALDH1A1MEN1
SCHEMBL19969558 0.71 KMT2A (1.00) KMT2ARXFP1MAPK1ALDH1A1MEN1
SCHEMBL11382983 0.71 TSHR (0.57) KMT2ARXFP1MAPK1SMN1; SMN2HTT
SCHEMBL683574 0.71 TSHR (0.47) KMT2ARXFP1MAPK1SMN1; SMN2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 — — EP disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 — — 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 (3 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2406/4885RXFP1 795/4885MAPK1 2168/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885MAPK1 1705/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KMT2A 2625/4885RXFP1 844/4885MAPK1 1705/4885

“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.