SCHEMBL6209927

SCHEMBL6209927

Clc1ncc(Br)c(NCCc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.57
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
SLC29A1 Q99808 1/20 0.47
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
METAP1 P53582 2/20 0.44
METAP2 P50579 1/20 0.44
IGF1R P08069 1/20 0.44
PDE5A O76074 3/20 0.43
GBA1 P04062 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TMIGD3 P0DMS9 1/20 0.42

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
SCHEMBL6211283 0.92 APP (0.49) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6212947 0.92 APP (0.48) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6833346 0.88 STK17B (0.48) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL13310307 0.87 MKNK2 (0.48) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL3447541 0.86 IGF1R (0.51) APPIGF1RPDE5AGBA1NPC1
SCHEMBL6832398 0.86 IGF1R (0.52) APPLMNAIGF1RTMIGD3HDAC3
SCHEMBL653889 0.86 APP (0.42) APPCYP2D6CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3450039 0.86 MKNK2 (0.47) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6213464 0.86 GALR3 (0.51) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6212214 0.85 PDE5A (0.55) APPEGFRLMNAHTTIGF1R

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 3202/4885CYP2D6 1247/4885CYP2C19 1849/4885

“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.