SCHEMBL8147226

SCHEMBL8147226

O=c1[nH]c(-c2ccc(Cl)cc2Cl)cn2nc(CN3CCOCC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.44
SLC2A2 P11168 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ARF6 P62330 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALPL P05186 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
TP53 P04637 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL1513835 0.92 KDM4E (0.39) CYP2A13SLC2A2KDM4EARF6MAPT
SCHEMBL1514004 0.88 KDM4E (0.43) KDM4EALDH1A1PIM1PIM2ALPL
SCHEMBL1513942 0.82 KDM4E (0.47) KDM4EMAPTALDH1A1ALPLTNKS
SCHEMBL1514045 0.78 CYP2A13 (0.46) CYP2A13SLC2A2KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1514048 0.78 CYP2A13 (0.45) CYP2A13SLC2A2KDM4EMAPTSMN1; SMN2
SCHEMBL3687396 0.75 KDM4E (0.55) KDM4EMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1514119 0.73 KDM4E (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1PIM1
SCHEMBL1514005 0.71 KDM4E (0.46) KDM4EMAPTALDH1A1PIM1MAPK1
SCHEMBL12762527 0.71 KDM4E (0.48) KDM4EMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3676712 0.67 KDM4E (0.44) KDM4EMAPTSMN1; SMN2ALDH1A1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-9434731-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-03 US disclosed
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-10-03 US disclosed
US-8476267-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-8476267-B2 Imidazo-, pyrazolopyrazines and imidazotriazines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
EP-2176264-B1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS BAYER IP GMBH (DE) 2012-12-19 EP disclosed
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
US-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 US disclosed
WO-2009007029-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 WO 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-20110053929-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 CYP2A13 336/4885SLC2A2 3307/4885KDM4E 3438/4885
US-20130261115-A1 IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE THPO, TPMT, IKZF3 CYP2A13 336/4885SLC2A2 3307/4885KDM4E 3438/4885

“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.