Sugi Predict

Sugi Predict / Compounds / SCHEMBL10310296

SCHEMBL10310296

SCHEMBL10310296

Cc1nn(C)c(C)c1NC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NR2F2 P24468 1/20 0.35
▸ NMT1 P30419 1/20 0.34

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
SCHEMBL50204 0.73 GAA (0.61) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL6917528 0.72 GAA (0.48) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL21791535 0.71 KDM4E (0.53) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12156243 0.69 GAA (0.56) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12846945 0.69 GAA (0.70) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL12788582 0.69 GAA (0.56) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL20037038 0.69 GAA (0.70) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL762265 0.69 GAA (0.46) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL18904130 0.67 GAA (0.44) GAAALDH1A1TSHRHSD17B10LMNA
SCHEMBL21650382 0.66 GAA (0.43) GAAALDH1A1TSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 — — 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885TSHR 4502/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885TSHR 4502/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 GAA 974/4885ALDH1A1 4635/4885TSHR 4502/4885

“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.