SCHEMBL16486751

SCHEMBL16486751

O=C(NC1=C(c2ccccn2)CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KCNK3 O14649 3/20 0.47
▸ KCNK9 Q9NPC2 3/20 0.47
▸ CTNNB1 P35222 1/20 0.45
▸ WNT3A P56704 1/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SCN5A Q14524 2/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 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
SCHEMBL16512729 0.82 GRM4 (0.45) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL16371764 0.78 GAA (0.48) LMNAGAAKCNK3KCNK9P2RX7
SCHEMBL27486980 0.77 MEN1 (0.63) LMNAGAACTNNB1WNT3ATP53
SCHEMBL30417052 0.77 MEN1 (0.63) LMNAGAACTNNB1WNT3ATP53
SCHEMBL16485993 0.76 RECQL (0.43) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL16372308 0.76 LMNA (0.59) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL16371758 0.76 LMNA (0.55) LMNAGAAKCNK3KCNK9PTGS1
Hydrochloric Acid SCHEMBL30416887 0.76 MEN1 (0.61) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL16392354 0.76 PTPRC (0.48) LMNAGAAKCNK3KCNK9P2RX7
SCHEMBL16372385 0.76 LMNA (0.46) LMNAGAAKCNK3KCNK9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 — — US disclosed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 — — US disclosed
EP-3033330-B1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-19 — — EP disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 — — US disclosed
EP-3033330-A2 NOVEL COMPOUNDS Syngenta Participations AG (CH) 2016-06-22 — — EP disclosed
WO-2015022265-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-19 — — WO disclosed
WO-2015022265-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-19 — — 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 (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-20160176806-A1 NOVEL COMPOUNDS SGMS1, DDT, CYP1B1 LMNA 2782/4885GAA 626/4885KCNK3 2964/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 LMNA 1800/4885GAA 332/4885KCNK3 2998/4885

“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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