SCHEMBL86807

SCHEMBL86807

O=C(NC1=Nc2cc(C(F)(F)F)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
AAK1 Q2M2I8 1/20 0.43
CSF1R P07333 3/20 0.43
BRAF P15056 2/20 0.43
MAP3K5 Q99683 1/20 0.43
TRPA1 O75762 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAMPT P43490 1/20 0.42
EPHX2 P34913 2/20 0.41
HDAC1 Q13547 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL29475027 0.87 CCNC (0.41) TSHRMEN1KMT2APOLBRXFP1
SCHEMBL82044 0.87 CCNC (0.41) TSHRMEN1KMT2APOLBRXFP1
SCHEMBL83418 0.86 HDAC1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL87241 0.85 TDP1 (0.46) TSHRMEN1KMT2APOLBNPC1
SCHEMBL80988 0.85 GAA (0.47) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL86810 0.85 KCNMA1 (0.48) TSHRMEN1KMT2APOLBNPC1
SCHEMBL82510 0.84 HDAC1 (0.45) TSHRMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL80801 0.83 HDAC1 (0.44) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL86958 0.83 HDAC1 (0.57) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL83770 0.83 TSHR (0.51) TSHRMEN1KMT2APOLBNPC1

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 TSHR 582/4885MEN1 2685/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TSHR 3515/4885MEN1 1133/4885KMT2A 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.