SCHEMBL86934

SCHEMBL86934

O=C(NC1=Nc2ccc(Cl)cc2C2=NCCN12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KCNMA1 Q12791 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.46
ABL1 P00519 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL86810 0.92 KCNMA1 (0.48) MEN1KMT2AKCNMA1SMN1; SMN2ALDH1A1
SCHEMBL86981 0.89 HDAC1 (0.41) MEN1KMT2AKCNMA1SMN1; SMN2ALDH1A1
SCHEMBL86916 0.88 HDAC1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL86644 0.88 GAA (0.47) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL86585 0.88 TDP1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL82510 0.86 HDAC1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL86778 0.86 HDAC1 (0.53) SMN1; SMN2ALDH1A1MAPTHTTABL1
Hydrochloric Acid SCHEMBL80801 0.85 HDAC1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL86814 0.85 TSHR (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL86589 0.85 HDAC1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 MEN1 2685/4885KMT2A 4598/4885KCNMA1 4024/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MEN1 1133/4885KMT2A 1309/4885KCNMA1 934/4885

“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.