SCHEMBL3172359

SCHEMBL3172359

Nc1cc(N)cc(C(=O)c2ccc[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
CYP2D6 P10635 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL10514905 0.86 PBRM1 (0.62) PBRM1ATMTSHRCCND3CDK6
SCHEMBL3173685 0.85 HPGD (0.46) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL13328057 0.81 TPMT (0.47) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL3173816 0.79 ATM (0.47) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL1074961 0.78 ALDH1A1 (0.56) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL3174176 0.78 CYP2D6 (0.45) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL28321855 0.78 NTRK1 (0.44) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL371069 0.77 TSHR (0.54) ATMTSHRCCND3CDK6SMN1; SMN2
Hydrochloric Acid SCHEMBL29381203 0.76 RAB9A (0.54) ATMTSHRCCND3CDK6SMN1; SMN2
SCHEMBL1892162 0.76 RAB9A (0.54) ATMTSHRCCND3CDK6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718087-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-05-18 US disclosed
US-7718277-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-05-18 US disclosed
US-7704610-B2 organic light emitting device comprising deuterated organic iridium complex; optoelectronic devices, photovoltaic devices; enhanced color properties and light output efficiencies GENERAL ELECTRIC COMPANY (US) 2010-04-27 US disclosed
US-20100090586-A1 ELECTRONIC DEVICES COMPRISING ORGANIC IRIDIUM COMPOSITIONS GENERAL ELECTRIC COMPANY 2010-04-15 US disclosed
US-7695640-B2 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY (US) 2010-04-13 US disclosed
US-7691292-B2 organic light emitters; photovoltaic cells; electrophosphorescent GENERAL ELECTRIC COMPANY (US) 2010-04-06 US disclosed
US-7691494-B2 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-04-06 US disclosed
US-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY 2010-03-04 US disclosed
US-7652151-B2 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2010-01-26 US disclosed
US-7608677-B2 Method for preparing polymeric organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2009-10-27 US disclosed
EP-2049555-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-04-22 EP disclosed
US-20080023672-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026249-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026250-A1 Electronic devices comprising organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080023671-A1 Organic iridium compositions and their use in electronic devices GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions GENERAL ELECTRIC COMPANY 2008-01-31 US disclosed
US-20080026477-A1 Method for preparing polymeric organic iridium compositions GENERAL ELECTRIC COMPANY (US) 2008-01-31 US disclosed
WO-2008014037-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2008-01-31 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-20080027028-A1 Ketopyrroles useful as ligands in organic iridium compositions OR10J3, OPRD1, OCIAD1 PBRM1 3089/4885ATM 4660/4885TSHR 2976/4885
US-20100051869-A1 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES OCIAD1, OCIAD2, OXER1 PBRM1 1290/4885ATM 4874/4885TSHR 3724/4885

“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.