SCHEMBL6212947

SCHEMBL6212947

Clc1ncc(Br)c(NCCCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
HPGD P15428 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
IGF1R P08069 1/20 0.46
GBA1 P04062 2/20 0.44
SIRT5 Q9NXA8 1/20 0.44
TMIGD3 P0DMS9 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6209927 0.92 APP (0.57) APPIGF1RGBA1TMIGD3ADORA2A
SCHEMBL18488673 0.86 APP (0.50) APPHPGDPIK3CDPIK3R1GBA1
SCHEMBL6211283 0.84 APP (0.49) APPIGF1RGBA1CYP2D6CYP2C19
SCHEMBL6212214 0.82 PDE5A (0.55) APPIGF1RSIRT5LMNAMAPT
SCHEMBL6833346 0.80 STK17B (0.48) APPIGF1RCYP2D6CYP2C19CYP1A2
SCHEMBL13310307 0.79 MKNK2 (0.48) APPIGF1RCYP2D6CYP2C19CYP1A2
SCHEMBL6832398 0.78 IGF1R (0.52) APPIGF1RTMIGD3LMNAMAPT
SCHEMBL3447541 0.78 IGF1R (0.51) APPIGF1RGBA1
SCHEMBL3715848 0.78 STK17A (0.61) STK17BSTK17A
SCHEMBL5152648 0.78 STK17B (0.45) SIRT5ADORA1CYP1A2STK17BSTK17A

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
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 US disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 APP 3202/4885HPGD 1737/4885PIK3CD 1809/4885

“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.