SCHEMBL19212396

SCHEMBL19212396

Fc1cc(F)cc(-n2ccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ENPP2 Q13822 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
NOTUM Q6P988 1/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 2/20 0.47
IDO1 P14902 1/20 0.47
CYP2A6 P11509 1/20 0.47
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL5960041 0.89 CYP11B1 (0.46) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL5222724 0.87 CYP11B1 (0.47) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16673120 0.84 CYP3A4 (0.62) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL12767805 0.82 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27670476 0.82 CYP11B1 (0.43) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL5228601 0.82 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL12838345 0.82 ENPP2 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27572539 0.82 IDO1 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL5223331 0.81 ADH5 (0.55) CYP3A4MAPTENPP2MKNK1MKNK2
SCHEMBL870900 0.80 IDO1 (0.64) CYP3A4LMNAMAPTENPP2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP claimed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US claimed
EP-3414216-A1 ARYLATION OF ALIPHATIC AMINES AAA Chemistry ApS (DK) 2018-12-19 EP claimed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 WO claimed
WO-2023134713-A1 FUSED AZAHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 南方科技大学 2023-07-20 WO disclosed
CN-115974872-A Aza-and-ring derivatives, pharmaceutical compositions thereof and uses thereof 南方科技大学 2023-04-18 CN disclosed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
CN-109071374-A The arylation of fatty amine AAA化学公司 2018-12-21 CN disclosed
EP-3414216-A1 ARYLATION OF ALIPHATIC AMINES AAA Chemistry ApS (DK) 2018-12-19 EP disclosed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 WO disclosed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 WO disclosed
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN 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-20190040028-A1 ARYLATION OF ALIPHATIC AMINES NAT1, AHR, ABL1 CYP3A4 242/4885LMNA 2612/4885MAPT 2503/4885

“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.