Sugi Predict

Sugi Predict / Compounds / SCHEMBL87364

SCHEMBL87364

SCHEMBL87364

COc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.52
▸ RAB9A P51151 7/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.47
▸ GPX4 P36969 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PTAFR P25105 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL86875 0.89 PTAFR (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL86998 0.85 SMN1; SMN2 (0.47) KMT2AMEN1MAPTLMNAPTAFR
SCHEMBL87113 0.82 ABCG2 (0.47) NPC1RAB9AKMT2AMEN1GPX4
SCHEMBL87114 0.82 PTAFR (0.46) KMT2AMEN1MAPTLMNAPTAFR
SCHEMBL86616 0.81 TDP1 (0.43) NPC1RAB9ATP53PTAFRSMN1; SMN2
SCHEMBL86985 0.80 HPGD (0.44) NPC1RAB9AKMT2AMEN1PTAFR
SCHEMBL87356 0.78 PTAFR (0.46) KMT2AMEN1MAPTLMNAPTAFR
SCHEMBL86961 0.78 NPC1 (0.39) NPC1RAB9ALMNAPTAFRALDH1A1
SCHEMBL86725 0.77 MEN1 (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL86679 0.77 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1MAPT

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-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 — — US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 — — US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 — — US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 — — US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 — — EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 NPC1 4109/4885RAB9A 1543/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NPC1 757/4885RAB9A 2541/4885KMT2A 1309/4885

“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.