SCHEMBL17916652

SCHEMBL17916652

CC1N(c2ccccc2)N=C(c2ccccc2)N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.43
▸ MEN1 O00255 12/20 0.43
▸ KMT2A Q03164 12/20 0.43
▸ MAPT P10636 11/20 0.43
▸ GLA P06280 10/20 0.43
▸ HPGD P15428 10/20 0.43
▸ GAA P10253 7/20 0.43
▸ L3MBTL1 Q9Y468 7/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ATM Q13315 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL3 P58215 1/20 0.34
▸ LOXL4 Q96JB6 1/20 0.34

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
SCHEMBL11921031 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL12140373 0.82 MAOB (0.37) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL1784958 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL19139217 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL24613037 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL24613036 0.77 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL9064559 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL14776961 0.75 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTGLA
SCHEMBL4123873 0.74 HPGD (0.42) ALDH1A1MEN1KMT2AMAPTGLA
Iodide SCHEMBL9067656 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTGLA

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-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2023-12-05 — — US disclosed
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2021-04-29 — — US disclosed
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2021-02-09 — — US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 — — US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 — — 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 (3 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-11839140-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 ALDH1A1 2588/4885MEN1 1374/4885KMT2A 4549/4885
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 ALDH1A1 2588/4885MEN1 1374/4885KMT2A 4549/4885
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 ALDH1A1 2588/4885MEN1 1374/4885KMT2A 4549/4885

“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.

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