SCHEMBL19258820

SCHEMBL19258820

N#Cc1c(F)ccc(-c2cc(F)ccn2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SQOR Q9Y6N5 3/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRM5 P41594 3/20 0.33
EGLN2 Q96KS0 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 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
SCHEMBL12828420 0.85 CCR1 (0.46) TGFBR1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL19072701 0.82 NOS3 (0.38) KDM4EGABRA1GABRG2GABRB3GABRA3
SCHEMBL12828419 0.81 SMN1; SMN2 (0.35) KDM4EALDH1A1GAASMN1; SMN2SQOR
SCHEMBL12828423 0.81 CCR1 (0.50) KDM4EALDH1A1SQORHPGDNPSR1
SCHEMBL30150883 0.79 SQOR (0.44) KDM4EALDH1A1GAASMN1; SMN2SQOR
SCHEMBL3048746 0.79 SQOR (0.44) KDM4EALDH1A1GAASMN1; SMN2SQOR
SCHEMBL13258227 0.79 IKBKB (0.32) KDM4EALDH1A1GAASMN1; SMN2SQOR
SCHEMBL19072699 0.76 GRM5 (0.42) TGFBR1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL27988588 0.73 CLK4 (0.36) KDM4EALDH1A1GAASMN1; SMN2SQOR
SCHEMBL29445848 0.72 KMO (0.54) TGFBR1GRM5GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 TGFBR1 450/4885KDM4E 2850/4885ALDH1A1 674/4885

“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.