SCHEMBL806086

SCHEMBL806086

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.55
SLC6A4 P31645 1/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAP2K1 Q02750 2/20 0.36
MAP2K2 P36507 1/20 0.36
MEN1 O00255 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
GPR27 Q9NS67 1/20 0.35
APLNR P35414 2/20 0.35
NOS1 P29475 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
SCHEMBL16532097 0.85 DGAT1 (0.42) DGAT1SLC6A4KMT2AMAP2K1MAP2K2
SCHEMBL17907309 0.85 DGAT1 (0.42) DGAT1SLC6A4KMT2AMAP2K1MAP2K2
SCHEMBL28905087 0.83 DGAT1 (0.52) DGAT1SLC6A4KMT2ANPC1ALDH1A1
SCHEMBL6819503 0.82 DGAT1 (0.47) DGAT1SLC6A4KMT2ANPC1ALDH1A1
SCHEMBL6819500 0.82 DGAT1 (0.47) DGAT1SLC6A4KMT2ANPC1ALDH1A1
SCHEMBL27889504 0.78 DGAT1 (0.59) DGAT1SLC6A4KMT2ANPC1ALDH1A1
SCHEMBL22619988 0.78 MEN1 (0.46) SLC6A4KMT2AALDH1A1RAB9AMEN1
SCHEMBL13201524 0.77 DGAT1 (0.50) DGAT1SLC6A4KMT2ANPC1ALDH1A1
SCHEMBL11970700 0.76 KDM1A (0.34) DGAT1KDM1AKDM1BGPR27
SCHEMBL11970702 0.76 KDM1A (0.34) DGAT1KDM1AKDM1BGPR27

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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 DGAT1 3007/4885SLC6A4 4690/4885KMT2A 221/4885

“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.