SCHEMBL4437547

SCHEMBL4437547

Cc1ccc(C(=O)O)cc1-c1cccc(Nc2ncncc2I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 4/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CSNK2A2 P19784 10/20 0.44
CSNK2A1 P68400 10/20 0.44
CSNK2B P67870 9/20 0.44
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
TOP2A P11388 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 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
SCHEMBL4439915 0.78 BRAF (0.58)
SCHEMBL4438459 0.76 PIK3CA (0.48)
SCHEMBL4436387 0.75 MAPK14 (0.59) POLB
SCHEMBL4439947 0.70 BRAF (0.60)
SCHEMBL14092948 0.69 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CLK4HSD17B10
SCHEMBL5495516 0.69 GRIK1 (0.48) CSNK2A2CSNK2BALDH1A1EGFR
SCHEMBL4434272 0.69 GRIK1 (0.52) CSNK2A2CSNK2BTSHRPOLBADRB2
SCHEMBL26464789 0.69 GRIK1 (0.55) POLBADRB2ADRB1ADRB3NR1H4
SCHEMBL2744081 0.68 GRIK1 (0.56) ALDH1A1TSHRPOLBNR1H4
SCHEMBL4444272 0.67 GRIK1 (0.54) CSNK2A2CSNK2A1CSNK2BEGFR

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 CYP1A2 1376/4885CYP3A4 2120/4885CYP2D6 2434/4885
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP1A2 1411/4885CYP3A4 1862/4885CYP2D6 1839/4885

“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.