SCHEMBL4086496

SCHEMBL4086496

O=C(Oc1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.48
GRM4 Q14833 2/20 0.43
BRAF P15056 3/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
JAK1 P23458 2/20 0.37
NUDT1 P36639 2/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL4082709 0.88 PRKCI (0.52) PRKCIGRM4BRAFKDRMAPK14
SCHEMBL4099697 0.86 PRKCI (0.46) PRKCIGRM4BRAFKDRMAPK14
Trifluoroacetic Acid SCHEMBL4086493 0.85 PRKCI (0.48) PRKCIGRM4BRAFKDRJAK1
Trifluoroacetic Acid SCHEMBL4082067 0.84 PRKCI (0.54) PRKCIGRM4KDRJAK1NUDT1
Trifluoroacetic Acid SCHEMBL4099689 0.84 PRKCI (0.47) PRKCIGRM4BRAFKDRJAK1
Trifluoroacetic Acid SCHEMBL4088476 0.83 CDK8 (0.47) PRKCIGRM4ABL1BCRMEN1
Trifluoroacetic Acid SCHEMBL4088293 0.81 GRM5 (0.47) PRKCIGRM4JAK1MEN1NPC1
SCHEMBL101730 0.81 CDK8 (0.53) PRKCIGRM4KDRAURKAAURKB
Trifluoroacetic Acid SCHEMBL4095832 0.81 PRKCI (0.51) PRKCIGRM4KDRJAK1NUDT1
SCHEMBL29540515 0.81 CDK8 (0.53) PRKCIGRM4KDRAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885BRAF 51/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885BRAF 51/4885

“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.