SCHEMBL21919792

SCHEMBL21919792

N#Cc1cc2c(-c3ccccc3)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3c3c4ccccc4c(c1)c23)c68)c1c(-c2ccccc2)c2cc(C#N)cc3c4ccccc4c(c23)c71

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
FASN P49327 2/20 0.39
METAP2 P50579 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
DPP4 P27487 2/20 0.34
PDE9A O76083 1/20 0.34
ADORA2A P29274 1/20 0.34
CSF1R P07333 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL21921271 0.97 MEN1 (0.37) MEN1KMT2AFASNMETAP2TSHR
SCHEMBL17119048 0.91 ALDH1A1 (0.37) MEN1KMT2AFASNMETAP2TSHR
SCHEMBL21919794 0.88 GABRA1 (0.40) MEN1KMT2AFASNTSHRALDH1A1
SCHEMBL18365177 0.81 MYC (0.38) MEN1KMT2AFASNTSHRALDH1A1
SCHEMBL17119050 0.80 CA1 (0.36) MEN1KMT2AFASNTSHRALDH1A1
SCHEMBL17119528 0.80 ALDH1A1 (0.37) MEN1KMT2AFASNTSHRALDH1A1
SCHEMBL14139947 0.78 ALDH1A1 (0.38) MEN1KMT2AFASNMETAP2TSHR
SCHEMBL14139948 0.78 ALDH1A1 (0.38) MEN1KMT2AFASNMETAP2TSHR
SCHEMBL22653046 0.78 ALDH1A1 (0.36) MEN1KMT2AMETAP2TSHRALDH1A1
SCHEMBL14139822 0.78 CYP1A2 (0.33) MEN1KMT2AMETAP2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11196006-B2 Organic compound and organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2021-12-07 US disclosed
US-20200111963-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2020-04-09 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 (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-11196006-B2 Organic compound and organic light-emitting element CRY1, CRY2, NR2E3 MEN1 429/4885KMT2A 2383/4885FASN 2217/4885
US-20200111963-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CRY1, CRY2, NR2E3 MEN1 429/4885KMT2A 2383/4885FASN 2217/4885

“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.