SCHEMBL18292120

SCHEMBL18292120

Cn1c(-n2cccn2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ PDE10A Q9Y233 2/20 0.49
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ PKM P14618 3/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP6 P55212 1/20 0.41

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
SCHEMBL19206978 0.71 SMN1; SMN2 (0.53) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL11015614 0.71 KMT2A (0.49) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL19449279 0.71 GRM5 (0.43) SMN1; SMN2PDE10AATMKMT2AMEN1
SCHEMBL20040486 0.69 SMN1; SMN2 (0.55) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL1171430 0.69 MEN1 (0.69) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL14685202 0.68 HSD11B1 (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL14685207 0.68 HSD11B1 (0.60) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL353890 0.67 SMN1; SMN2 (0.63) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL1053419 0.67 SMN1; SMN2 (1.00) SMN1; SMN2ATMKMT2AMEN1KDM4E
SCHEMBL4940460 0.67 HSD11B1 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 — — US disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 — — US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 — — US disclosed
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-09-03 — — US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 — — US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 — — US disclosed
WO-2016196816-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-12-08 — — WO 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 (4 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-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 SMN1; SMN2 4719/4885PDE10A 2861/4885ATM 1304/4885
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes PPOX, AOC2, AOC3 SMN1; SMN2 4726/4885PDE10A 2781/4885ATM 1330/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 SMN1; SMN2 4719/4885PDE10A 2861/4885ATM 1304/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 SMN1; SMN2 4719/4885PDE10A 2861/4885ATM 1304/4885

“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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