SCHEMBL12450338

SCHEMBL12450338

c1ccc2c(c1)c1ccccc1c1cc(-n3cccn3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
PDK2 Q15119 1/20 0.46
NLRP3 Q96P20 3/20 0.45
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MAT2A P31153 1/20 0.40
HDAC4 P56524 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL14057557 0.80 AHR (0.47) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL6778095 0.79 NOTUM (0.56) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL4341894 0.79 NOTUM (0.78) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL15502187 0.77 KDM4E (0.53) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL5934873 0.77 NOTUM (0.57) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL3665773 0.77 NOTUM (0.53) NOTUMMAPK1KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL6006151 0.75 NOTUM (0.55) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL27250 0.74 NOTUM (0.65) NOTUMMAPK1KDM4EALDH1A1NPC1
SCHEMBL11337325 0.73 NOTUM (0.63) NOTUMMAPK1KDM4EALDH1A1PDK2
SCHEMBL3103821 0.73 NOTUM (0.58) NOTUMMAPK1KDM4EALDH1A1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522895-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs UDC IRELAND LIMITED (IE) 2016-12-20 US disclosed
US-9522895-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs UDC IRELAND LIMITED (IE) 2016-12-20 US disclosed
US-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2013-09-05 US disclosed
US-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2013-09-05 US disclosed
US-8455112-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs BASF SE (DE) 2013-06-04 US disclosed
US-8455112-B2 Organometallic complexes which emit in the red to green spectral region and their use in OLEDs BASF SE (DE) 2013-06-04 US disclosed
EP-2134807-B1 IRIDIUM-TRIPHENYLENE COMPLEXES AND THEIR USE IN OLEDS BASF SE (DE) 2011-08-31 EP disclosed
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2010-05-27 US disclosed
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS BASF SE (DE) 2010-05-27 US disclosed
US-20100109515-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-05-06 US disclosed
US-20100109515-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-05-06 US disclosed
WO-2008122943-A1 OLED WITH METAL COMPLEXES HAVING A HIGH QUANTUM EFFICIENCY PHILIPS INTELLECTUAL PROPERTY & STANDARDS GMBH (DE) 2008-10-16 WO disclosed
WO-2008122603-A2 IRIDIUM-TRIPHENYLENE COMPLEXES AND THEIR USE IN OLEDS BASF SE (DE) 2008-10-16 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-20130231489-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS OCIAD1, ORC3, OCIAD2 NOTUM 3537/4885MAPK1 4258/4885KDM4E 4436/4885
US-20100127215-A1 NOVEL ORGANOMETALLIC COMPLEXES WHICH EMIT IN THE RED TO GREEN SPECTRAL REGION AND THEIR USE IN OLEDS OCIAD1, ORC3, OCIAD2 NOTUM 3537/4885MAPK1 4258/4885KDM4E 4436/4885

“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.