SCHEMBL426455

SCHEMBL426455

CCCCCc1cc(CCCCC)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
NOS2 P35228 1/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
PTGS2 P35354 3/20 0.38
CYP3A4 P08684 1/20 0.38
CNR2 P34972 2/20 0.37
GPR84 Q9NQS5 2/20 0.36
CYP19A1 P11511 3/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 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
SCHEMBL12539240 0.98 KCNH2 (0.53) KCNH2NOS2ESR1ESR2KMT2A
SCHEMBL791579 0.90 KCNH2 (0.46) KCNH2NOS2ESR1ESR2KMT2A
SCHEMBL5672228 0.83 NOS2 (0.46) KCNH2NOS2ESR1ESR2KMT2A
SCHEMBL12483838 0.82 KMT2A (0.42) KCNH2NOS2ESR1ESR2KMT2A
SCHEMBL13720052 0.82 NOS2 (0.49) KCNH2NOS2ESR1ESR2KMT2A
SCHEMBL1187650 0.80 KCNH2 (0.52) KCNH2NOS2ESR1ESR2PTGS2
SCHEMBL8980571 0.80 KCNH2 (0.52) KCNH2NOS2ESR1ESR2PTGS2
SCHEMBL1189202 0.78 KCNH2 (0.55) KCNH2NOS2ESR1ESR2PTGS2
SCHEMBL1188035 0.78 KCNH2 (0.55) KCNH2NOS2ESR1ESR2PTGS2
SCHEMBL1187318 0.78 KCNH2 (0.55) KCNH2NOS2ESR1ESR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440531-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-11-02 CN disclosed
CN-108299439-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-02-09 CN disclosed
US-9502664-B2 4H-imidazo[1,2-a]imidazoles for electronic applications UDC IRELAND LIMITED (IE) 2016-11-22 US disclosed
EP-2776443-B1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2016-02-03 EP disclosed
EP-2776443-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-09-17 EP disclosed
US-20140252280-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-09-11 US disclosed
WO-2013068376-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2013-05-16 WO disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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 (1 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 KCNH2 1831/4885NOS2 3670/4885ESR1 1514/4885

“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.