Sugi Predict

Sugi Predict / Compounds / SCHEMBL5000446

SCHEMBL5000446

SCHEMBL5000446

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.61
▸ BRAF P15056 8/20 0.61
▸ DDR2 Q16832 1/20 0.61
▸ KDR P35968 3/20 0.59
▸ MAPK14 Q16539 3/20 0.59
▸ LCK P06239 2/20 0.59
▸ JAK3 P52333 2/20 0.59
▸ TEK Q02763 1/20 0.59
▸ MAPK13 O15264 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ MAPK12 P53778 1/20 0.57
▸ EPHB4 P54760 1/20 0.57
▸ EPHA4 P54764 1/20 0.57
▸ MAPK11 Q15759 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL4434896 0.92 RXFP1 (0.63) RAF1BRAFDDR2KDRMAPK14
SCHEMBL4440208 0.91 RAF1 (0.65) RAF1BRAFDDR2KDRMAPK14
SCHEMBL16246847 0.86 GPR17 (0.69) MEN1HTTRAB9AKMT2ARXFP1
SCHEMBL4444048 0.85 PTGS1 (0.72) RAF1BRAFDDR2KDRMAPK14
SCHEMBL5000367 0.83 BRAF (0.65) RAF1BRAFDDR2KDRMAPK14
SCHEMBL374408 0.83 RAB9A (0.65) BRAFKDRMAPK14LCKKIT
SCHEMBL29227478 0.81 MEN1 (0.62) BRAFMAPK14LCKKITMEN1
SCHEMBL30822365 0.81 MEN1 (0.62) BRAFMAPK14LCKKITMEN1
SCHEMBL4440267 0.81 RAF1 (0.53) RAF1BRAFDDR2KDRMAPK14
SCHEMBL2851288 0.80 MEN1 (0.75) MEN1HTTRAB9AKMT2ARXFP1

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 5 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
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

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 RAF1 466/4885BRAF 59/4885DDR2 833/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RAF1 247/4885BRAF 31/4885DDR2 735/4885

“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.