SCHEMBL19797763

SCHEMBL19797763

CCc1ccc(-n2cc(Br)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.39
PRKCI P41743 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL10161895 0.82 EGLN1 (0.43) EGLN1KDM4EL3MBTL1HRH3TSHR
SCHEMBL30175338 0.82 EGLN1 (0.43) EGLN1KDM4EL3MBTL1HRH3TSHR
SCHEMBL10161876 0.81 EGLN1 (0.38) EGLN1KDM4EL3MBTL1HRH3CYP1A2
SCHEMBL21745145 0.81 EGLN1 (0.39) EGLN1KDM4EL3MBTL1HRH3CYP1A2
SCHEMBL10161808 0.81 EGLN1 (0.39) EGLN1KDM4EL3MBTL1HRH3CYP1A2
SCHEMBL13514061 0.81 EGLN1 (0.39) EGLN1KDM4EL3MBTL1HRH3CYP1A2
Ammonia Solution, Strong SCHEMBL22041901 0.79 EGLN1 (0.39) EGLN1KDM4EL3MBTL1HRH3CYP1A2
Hydrochloric Acid SCHEMBL28716738 0.78 EGLN1 (0.38) EGLN1KDM4EL3MBTL1HRH3CYP1A2
SCHEMBL23612174 0.78 KMT2A (0.43) PRKCIKDM4ETSHRHSD17B10MAPK1
SCHEMBL10160925 0.77 EGLN1 (0.49) EGLN1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS BLUEPRINT MEDICINES CORPORATION 2018-01-25 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 (1 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-20180022731-A1 2-(PYRIDIN-3-YL)-PYRIMIDINE DERIVATIVES AS RET INHIBITORS RET, MECP2, RB1 EGLN1 1871/4885PRKCI 435/4885KDM4E 1065/4885

“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.