SCHEMBL86895

SCHEMBL86895

CCn1nc(C)cc1C(=O)NC1=Nc2cc(N3CCOCC3)ccc2C2=NCCN12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STING1 Q86WV6 2/20 0.37
TSHR P16473 2/20 0.36
DNM1L O00429 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSF1R P07333 1/20 0.35
RGS12 O14924 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL86668 0.83 SMYD3 (0.41) F10MAPTKDM4EKMT2ASTING1
SCHEMBL82377 0.80 MEN1 (0.46) MAPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL86529 0.80 MAPT (0.41) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29475090 0.80 MEN1 (0.46) MAPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL86780 0.78 ALDH1A1 (0.40) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL86514 0.78 MAPT (0.52) MAPTSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL87428 0.76 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL86512 0.76 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL82129 0.75 MAPT (0.43) F10MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL29475080 0.75 MAPT (0.43) F10MAPTSMN1; SMN2KDM4EHPGD

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 F10 2878/4885MAPT 2333/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 F10 3543/4885MAPT 3803/4885SMN1; SMN2 1755/4885

“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.