SCHEMBL4437612

SCHEMBL4437612

Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.52
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LCK P06239 2/20 0.49
MAPK14 Q16539 2/20 0.49
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
PIK3CA P42336 1/20 0.49
BRAF P15056 5/20 0.49
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KIT P10721 3/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL17316210 0.92 HDAC3 (0.58) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL18775272 0.89 KCNK3 (0.53) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL17413291 0.86 CSF1R (0.53) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL4421974 0.85 CSF1R (0.52) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL29921468 0.84 CSF1R (0.51) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL29071507 0.84 CSF1R (0.51) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL2883773 0.84 MEN1 (0.68) CSF1RLCKMAPK14KDRBRAF
SCHEMBL4421970 0.83 CSF1R (0.55) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL17935976 0.82 CSF1R (0.49) CSF1RHDAC3HDAC8HDAC6LCK
SCHEMBL13202466 0.79 TRPV1 (0.67) HDAC3HDAC8HDAC6BRAFRAB9A

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 CSF1R 459/4885HDAC3 797/4885HDAC8 557/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CSF1R 549/4885HDAC3 900/4885HDAC8 876/4885

“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.