SCHEMBL22502916

SCHEMBL22502916

CCc1cc2cccc(I)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL21184174 0.82 — —
SCHEMBL22502897 0.80 ALKBH5 (0.38) DHFR
SCHEMBL20865176 0.78 NPSR1 (0.31) SMN1; SMN2
SCHEMBL12278802 0.72 DHFR (0.36) DHFR
SCHEMBL1882418 0.69 KMT2A (0.50) POLB
SCHEMBL28264470 0.69 CMA1 (0.31) —
SCHEMBL13561998 0.69 ALDH1A1 (0.36) DHFR
SCHEMBL22502923 0.67 DYRK1A (0.37) DHFRPOLB
SCHEMBL19841330 0.64 RORC (0.41) —
SCHEMBL20989881 0.64 CYP1A2 (0.31) —

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-10797249-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-06 — — 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-10797249-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 DHFR 2771/4885POLB 2038/4885SMN1; SMN2 3667/4885

“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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