SCHEMBL2953283

SCHEMBL2953283

Clc1nnc(I)c2cc(Br)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NT5E P21589 1/20 0.34
JAK2 O60674 3/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FLT1 P17948 1/20 0.32

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
SCHEMBL29426480 0.86 JAK2 (0.38) HTTNT5EJAK2CHEK1AURKA
SCHEMBL29426545 0.86 HTT (0.41) HTTNT5EJAK2CHEK1AURKA
SCHEMBL2459267 0.86 HTT (0.41) HTTNT5EJAK2CHEK1AURKA
SCHEMBL29426477 0.78 ALOX15 (0.35) JAK2CHEK1AURKADAPK3PRKD3
SCHEMBL4893783 0.77 LMNA (0.38) HTTFLT1KDRCYP1A2GOT1
SCHEMBL30462715 0.77 CYP1A2 (0.41) HTTNT5ECYP1A2CYP2D6CYP2C9
SCHEMBL23526031 0.73 RXFP1 (0.41) HTTNT5EJAK2CYP1A2CYP2D6
SCHEMBL30467794 0.73 PDE4B (0.35) HTTNT5ECYP1A2CYP2D6CYP2C9
SCHEMBL24252800 0.73 PDE4B (0.35) HTTNT5ECYP1A2CYP2D6CYP2C9
SCHEMBL16294307 0.73 ALDH1A1 (0.42) HTTNT5ECYP1A2CYP2D6CYP2C9

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-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 HTT 2879/4885NT5E 4069/4885JAK2 35/4885

“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.