SCHEMBL21362368

SCHEMBL21362368

c1ccc(Nc2cccc(-n3ccnc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
IDO1 P14902 1/20 0.57
ABL1 P00519 2/20 0.55
PDGFRB P09619 1/20 0.55
BCR P11274 1/20 0.55
SRC P12931 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKCA P17252 1/20 0.55
PRKCD Q05655 1/20 0.55
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
CYP19A1 P11511 2/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2A6 P11509 1/20 0.49
CYP26A1 O43174 3/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL28484940 0.86 CYP3A4 (0.71) CYP3A4CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL8592858 0.86 ABL1 (0.67) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL28512889 0.83 ABL1 (0.53) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL31440677 0.83 ABL1 (0.53) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL21646511 0.82 IDO1 (0.58) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL14489499 0.80 IDO1 (0.75) CYP3A4IDO1CYP11B1CYP11B2CYP19A1
SCHEMBL14062190 0.80 IDO1 (0.65) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL7119129 0.79 KDR (0.59) CYP3A4ABL1PDGFRBBCRSRC
SCHEMBL7117333 0.79 ABL1 (0.54) CYP3A4IDO1ABL1PDGFRBBCR
SCHEMBL13550019 0.79 ABL1 (0.54) CYP3A4IDO1ABL1PDGFRBBCR

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-20220085303-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-17 US disclosed
US-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 CYP3A4 1873/4885IDO1 434/4885ABL1 1788/4885
US-20220085303-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE GPX1, LAGE3, NFE2L2 CYP3A4 594/4885IDO1 839/4885ABL1 1657/4885

“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.