SCHEMBL4098172

SCHEMBL4098172

O/C(=C/c1ccnc(F)c1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
CYP11B2 P19099 2/20 0.43
APP P05067 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL5790912 0.75 CYP1A1 (0.53) CYP19A1CYP11B2ALDH1A1GAACYP1A1
SCHEMBL4102705 0.73 RAB9A (0.42) ALDH1A1MAPTSMN1; SMN2EGFRKMT2A
SCHEMBL28830747 0.68 ALDH1A1 (0.57) CYP19A1CYP11B2APPALDH1A1GAA
SCHEMBL27594324 0.68 ALDH1A1 (0.57) CYP19A1CYP11B2APPALDH1A1GAA
SCHEMBL4090694 0.67 PLOD2 (0.49) APPALDH1A1GAAHCAR3HCAR2
SCHEMBL17053217 0.66 KMT2A (0.51) CYP19A1CYP11B2APPALDH1A1GAA
SCHEMBL7970832 0.65 LOXL2 (0.45) ALDH1A1MAPTKDM1AHDAC1HDAC6
SCHEMBL7970830 0.65 LOXL2 (0.45) ALDH1A1MAPTKDM1AHDAC1HDAC6
SCHEMBL4097132 0.65 GAA (0.41) APPALDH1A1GAAHCAR3HCAR2
SCHEMBL4099411 0.65 GAA (0.41) APPALDH1A1GAAHCAR3HCAR2

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CYP19A1 4129/4885CYP11B2 4006/4885APP 4711/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CYP19A1 4129/4885CYP11B2 4006/4885APP 4711/4885

“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.