SCHEMBL4437537

SCHEMBL4437537

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(I)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
RXFP1 Q9HBX9 8/20 0.61
KCNK3 O14649 2/20 0.60
P2RX1 P51575 1/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PTGS1 P23219 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.57
KCNK9 Q9NPC2 1/20 0.56
CSF1R P07333 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL4697489 0.85 MAPT (0.68) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL2975743 0.85 MAPT (0.68) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL29561542 0.85 MAPT (0.68) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL24141032 0.83 MAPT (0.84) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL13549872 0.83 MAPT (0.70) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL13202441 0.83 MAPT (0.70) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL11791073 0.82 RXFP1 (0.79) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL23447711 0.82 MAPT (0.82) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL4286068 0.82 MAPT (0.94) MAPTRXFP1KCNK3P2RX1LMNA
SCHEMBL17936028 0.81 MAPT (0.64) MAPTRXFP1KCNK3P2RX1LMNA

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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 US disclosed
US-8513270-B2 Substituted heterocycles as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-08-20 US disclosed
EP-2121692-B1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2013-04-10 EP disclosed
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
US-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders INCYTE CORPORATION 2008-08-07 US disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 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-20080188500-A1 e.g. N-[4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)phenyl]-3-(trifluoromethyl)benzamide; Janus kinases inhibitor; anticarcinogenic agent; immune-related diseases, skin disorders, myeloid proliferative disorders JAK3, JAK1, JAK2 MAPT 4133/4885RXFP1 4578/4885KCNK3 1339/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 MAPT 4015/4885RXFP1 4079/4885KCNK3 1313/4885

“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.