SCHEMBL26345552

SCHEMBL26345552

N#Cc1cccc(N)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAP2K1 Q02750 1/20 0.39
TSHR P16473 3/20 0.38
DYRK1A Q13627 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL3236721 0.83 TSHR (0.46) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL1704559 0.79 KDM4E (0.35) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL31172444 0.76 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL21899485 0.76 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL4342357 0.76 DYRK1A (0.48) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL1161369 0.76 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL29565104 0.75
SCHEMBL71324 0.75
Hydrochloric Acid SCHEMBL31616074 0.74 DYRK1A (0.47) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL1702636 0.74 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1

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-20230337524-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-19 US disclosed
US-20230309379-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 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-20230337524-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, L1CAM, LEF1 CYP3A4 636/4885CYP1A2 562/4885CYP2C9 523/4885
US-20230309379-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND CRY1, LEF1, LAGE3 CYP3A4 195/4885CYP1A2 245/4885CYP2C9 265/4885

“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.