SCHEMBL13154641

SCHEMBL13154641

c1ncc2c3c(ccc2n1)NCC3

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
EGFR P00533 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL31712908 0.78 EGFR (0.33) EGFRKDM4ECYP1A2CYP3A4
SCHEMBL5865477 0.76 MAPT (0.52) NOTUMBCHEACHEKDM4ECYP3A4
SCHEMBL13154670 0.73 CHRNB2 (0.33) EGFRKDM4ECYP1A2CYP3A4
SCHEMBL13154683 0.73 NOTUM (0.40) NOTUMEGFR
SCHEMBL13154633 0.72 NOTUM (0.42) NOTUMBCHEACHE
SCHEMBL13154668 0.69 CDC7 (0.44) NOTUMACHEKDM4ECYP1A2CYP3A4
SCHEMBL13154665 0.69 NOTUM (0.42) NOTUMBCHEACHE
SCHEMBL30790389 0.69 EGFR (0.38) EGFR
SCHEMBL13154666 0.68 NOTUM (0.44) NOTUMBCHEACHEKDM4ECYP1A2
SCHEMBL31712925 0.68 SRC (0.33) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) UDC IRELAND LIMITED (IE) 2024-05-07 US disclosed
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2024-02-29 US disclosed
US-20140309428-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2014-10-16 US disclosed
US-7803948-B2 Method for the isomerisation of transition metal complexes containing cyclometallated, carbene ligands BASF AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
US-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US 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 (4 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-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands SCO2, CYC1, CHRM1 NOTUM 4627/4885BCHE 4362/4885ACHE 4528/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG NOTUM 1860/4885BCHE 3829/4885ACHE 1779/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG NOTUM 1860/4885BCHE 3829/4885ACHE 1779/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG NOTUM 1860/4885BCHE 3829/4885ACHE 1779/4885

“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.