SCHEMBL11942828

SCHEMBL11942828

Cc1nc2c(ccc3cccnc32)c(C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.59
▸ CCR8 P51685 5/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ CCR5 P51681 3/20 0.59
▸ KDM4E B2RXH2 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HSP90AA1 P07900 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MMP2 P08253 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ GMNN O75496 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ NFKB1 P19838 1/20 0.57

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
Phenanthroline SCHEMBL20503157 0.85 L3MBTL1 (0.79) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL10884002 0.80 SMN1; SMN2 (0.50) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL31290662 0.80 SMN1; SMN2 (0.50) CCR1CCR8L3MBTL1CCR5KDM4E
Phenanthroline SCHEMBL3812011 0.78 CCR1 (0.94) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL11942827 0.77 HSP90AA1 (0.55) CCR1CCR8L3MBTL1CCR5KDM4E
SCHEMBL7635206 0.76 CCR1 (0.67) CCR1CCR8L3MBTL1CCR5KDM4E
Phenanthroline SCHEMBL8845760 0.76 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5KDM4E
Phenanthroline SCHEMBL29367277 0.76 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5KDM4E
Phenanthroline SCHEMBL8312 0.76 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5KDM4E
Phenanthroline SCHEMBL29354015 0.76 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024144190-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2024-07-04 — — WO disclosed
US-9944846-B2 Compositions for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-17 — — US disclosed
US-9496506-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2016-11-15 — — US disclosed
US-20160060512-A1 COMPOSITIONS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-03-03 — — US disclosed
US-20130140544-A1 DEUTERATED COMPOUNDS FOR ELECTRONIC APPLICATIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 — — US disclosed
US-20120187382-A1 ELECTRONIC DEVICES HAVING LONG LIFETIME E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-07-26 — — US disclosed
US-20110101312-A1 DEUTERATED COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-05 — — 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 (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-20110101312-A1 DEUTERATED COMPOUNDS FOR ELECTRONIC APPLICATIONS VDAC3, NES, DRD3 CCR1 3934/4885CCR8 2579/4885L3MBTL1 2998/4885

“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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