Sugi Predict

Sugi Predict / Compounds / SCHEMBL1043404

SCHEMBL1043404

SCHEMBL1043404

COc1nccc2cc(-c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ RIPK1 Q13546 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
SCHEMBL12794732 0.78 CAPN1 (0.43) ADORA1RXFP1SMN1; SMN2
SCHEMBL13752972 0.77 KDM4C (0.36) KDM4ERECQLLMNASMN1; SMN2
SCHEMBL13752973 0.77 DAO (0.41) RECQL
SCHEMBL12794749 0.70 ALDH1A1 (0.46) KDM4EMAPTRAB9ANPSR1RXFP1
SCHEMBL1043405 0.69 SQOR (0.47) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL27418449 0.69 JAK2 (0.41) MAPTKMT2AMEN1
SCHEMBL12873967 0.69 LMNA (0.36) KDM4ENPC1RAB9ANPSR1RXFP1
SCHEMBL31611876 0.69 TNKS (0.51) KDM4EADORA2AADORA1MAPTKMT2A
SCHEMBL31427032 0.68 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1536353 0.68 KDM4E (0.64) KDM4EADORA2AADORA1MAPTKMT2A

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 — — US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 — — EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 — — WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 — — WO 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET KDM4E 2223/4885ADORA2A 2964/4885ADORA1 3325/4885

“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.