SCHEMBL86778

SCHEMBL86778

CN(C)c1ccc2c(c1)C1=NCCN1C(NC(=O)c1cccnc1)=N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
GFER P55789 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
BRAF P15056 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CYP2C19 P33261 1/20 0.40
RAB9A P51151 5/20 0.40
HTR2C P28335 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSF1R P07333 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL86585 0.88 TDP1 (0.46) HDAC1MAPTNPSR1RAB9ATDP1
SCHEMBL86981 0.87 HDAC1 (0.41) HDAC1GFERMAPTABL1RAB9A
SCHEMBL86916 0.86 HDAC1 (0.44) HDAC1GFERMAPTRAB9AALDH1A1
SCHEMBL86934 0.86 MEN1 (0.48) GFERMAPTABL1RAB9AALDH1A1
SCHEMBL86644 0.86 GAA (0.47) HDAC1GFERMAPTRAB9ATDP1
SCHEMBL86814 0.86 TSHR (0.51) MAPTRAB9ATDP1ALDH1A1TSHR
SCHEMBL82510 0.85 HDAC1 (0.45) HDAC1GFERMAPTABL1RAB9A
Hydrochloric Acid SCHEMBL80801 0.84 HDAC1 (0.44) HDAC1GFERMAPTABL1RAB9A
SCHEMBL86589 0.84 HDAC1 (0.39) HDAC1GFERMAPTABL1RAB9A
SCHEMBL87422 0.83 MAPT (0.51) HDAC1MAPTRAB9AHTR2CALDH1A1

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 HDAC1 2079/4885GFER 4158/4885MAPT 2333/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC1 699/4885GFER 4781/4885MAPT 3803/4885

“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.