SCHEMBL22157286

SCHEMBL22157286

Fc1c(F)c(F)c(-c2c(-n3c4ccccc4c4cc(-c5ccnc(-c6ccccc6)c5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.37
▸ TACR1 P25103 7/20 0.34
▸ SGMS1 Q86VZ5 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.34
▸ TOP1 P11387 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ ASIC3 Q9UHC3 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ BCR P11274 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL22157280 0.97 TGFBR1 (0.37) TGFBR1TACR1SGMS1SGMS2TOP1
SCHEMBL22157285 0.94 TGFBR1 (0.37) TGFBR1TACR1SGMS1SGMS2TOP1
SCHEMBL22157643 0.91 TGFBR1 (0.37) TGFBR1TACR1SGMS1SGMS2TOP1
SCHEMBL22157287 0.91 TGFBR1 (0.39) TGFBR1SGMS1SGMS2TOP1TDP1
SCHEMBL22156752 0.89 TGFBR1 (0.37) TGFBR1TACR1SGMS1SGMS2TOP1
SCHEMBL22157617 0.88 KIF11 (0.37) TACR1TDP1
SCHEMBL22156026 0.88 CYP11B1 (0.36) TACR1TDP1KDM1A
SCHEMBL22157736 0.88 TGFBR1 (0.36) TGFBR1TOP1TDP1MAPKAPK2ASIC3
SCHEMBL22157886 0.86 TGFBR1 (0.33) TGFBR1SGMS1SGMS2ASIC3
SCHEMBL22157606 0.85 KIF11 (0.40) TACR1TDP1KDM1A

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 — — 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 TGFBR1 2276/4885TACR1 936/4885SGMS1 4659/4885

“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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