Sugi Predict

Sugi Predict / Compounds / SCHEMBL87192

SCHEMBL87192

SCHEMBL87192

O=C(NCCc1ccc2c(n1)N=C(/C=C(\O)c1cccnc1)N1CCN=C21)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ PDE10A Q9Y233 1/20 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
SCHEMBL86793 0.92 ALDH1A1 (0.40) NAMPTTP53MAPTNPC1RAB9A
SCHEMBL86790 0.88 MAPT (0.34) EPHX2TP53MAPTNPC1RAB9A
SCHEMBL86909 0.85 TBXAS1 (0.38) GPR6
SCHEMBL86928 0.83 TBXAS1 (0.41) —
SCHEMBL87207 0.83 TBXAS1 (0.42) —
SCHEMBL86722 0.79 TBXAS1 (0.32) ALDH1A1GPR6
SCHEMBL86773 0.71 PTAFR (0.40) SMN1; SMN2ALDH1A1GPR6
SCHEMBL87190 0.71 HDAC1 (0.39) MEN1KMT2AALDH1A1GPR6
SCHEMBL86775 0.70 PTAFR (0.39) SMN1; SMN2ALDH1A1GPR6
SCHEMBL86841 0.70 PTAFR (0.44) MAPTSMN1; SMN2MEN1KMT2AGPR6

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 NAMPT 1080/4885EPHX2 1467/4885EPHX1 1887/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NAMPT 1269/4885EPHX2 2320/4885EPHX1 3371/4885

“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.