Sugi Predict

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SCHEMBL438727

SCHEMBL438727

Nc1cc2c(cc1N)C(=O)N(C[C@@H](O)CO)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ AHCY P23526 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASP7 P55210 2/20 0.32

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
SCHEMBL438736 0.84 MAPT (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL453055 0.84 MAPT (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5798482 0.78 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL5798484 0.78 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL6153732 0.78 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL30268729 0.78 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL24439282 0.73 PRF1 (0.36) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL18351286 0.72 KMT2A (0.49) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL14377608 0.71 ALDH1A1 (0.41) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL1398263 0.69 MGLL (0.41) MAPK1ALDH1A1MAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 — — US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 — — WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 — — US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 — — 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 (2 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 MAPK1 633/4885ALDH1A1 1243/4885KMT2A 1137/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 MAPK1 633/4885ALDH1A1 1243/4885KMT2A 1137/4885

“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.