SCHEMBL86589

SCHEMBL86589

C=Cc1ccc2c(c1)C1=NCCN1C(NC(=O)c1cccnc1)=N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL86981 0.86 HDAC1 (0.41) HDAC1MAPTHTTLMNATSHR
SCHEMBL86916 0.85 HDAC1 (0.44) HDAC1MAPTLMNAMEN1KMT2A
SCHEMBL86644 0.85 GAA (0.47) HDAC1MAPTLMNAKMT2AALDH1A1
SCHEMBL86934 0.85 MEN1 (0.48) MAPTHTTLMNATSHRMEN1
SCHEMBL86585 0.85 TDP1 (0.46) HDAC1MAPTHTTLMNATSHR
SCHEMBL82510 0.84 HDAC1 (0.45) HDAC1MAPTHTTLMNATSHR
SCHEMBL86778 0.84 HDAC1 (0.53) HDAC1MAPTHTTLMNATSHR
Hydrochloric Acid SCHEMBL80801 0.83 HDAC1 (0.44) HDAC1MAPTHTTLMNATSHR
SCHEMBL86814 0.83 TSHR (0.51) MAPTTSHRMEN1KMT2AALDH1A1
SCHEMBL87422 0.82 MAPT (0.51) HDAC1MAPTLMNAMEN1KMT2A

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 11 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
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP 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
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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 HDAC1 2079/4885MAPT 2333/4885HTT 2034/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC1 699/4885MAPT 3803/4885HTT 3020/4885

“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.