SCHEMBL13201524

SCHEMBL13201524

CN/C(=N/N)c1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
SLC6A4 P31645 1/20 0.39
MAP2K1 Q02750 4/20 0.37
MAP2K2 P36507 1/20 0.36
GPR27 Q9NS67 1/20 0.36
ALOX12 P18054 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33

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
SCHEMBL806086 0.77 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL16074592 0.74 DGAT1 (0.50) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL2671176 0.74 DGAT1 (0.50) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL1648482 0.74 DGAT1 (0.59) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL7898407 0.71 DGAT1 (0.36) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL24484070 0.71 OGG1 (0.41) LMNAKMT2ACA1CA2CA9
SCHEMBL24100590 0.71 OGG1 (0.41) LMNAKMT2ACA1CA2CA9
SCHEMBL27889504 0.70 DGAT1 (0.59) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL244793 0.68 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA
SCHEMBL241517 0.68 DGAT1 (0.61) DGAT1NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 DGAT1 2358/4885NPC1 1884/4885RAB9A 1753/4885

“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.