SCHEMBL6882948

SCHEMBL6882948

Cc1nc(C)c(Cl)c(NCc2ccc(O)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
METAP1 P53582 4/20 0.35
ESR1 P03372 3/20 0.35
METAP2 P50579 3/20 0.35
ESR2 Q92731 1/20 0.35
PDE2A O00408 2/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
Bromide SCHEMBL6876839 0.99 TSHR (0.37) TSHRLMNAHTTMETAP1ESR1
SCHEMBL6883435 0.81 HTT (0.34) TSHRLMNAHTTMETAP1METAP2
SCHEMBL6743052 0.80 ESR1 (0.49) ESR1USP2ALDH1A1MEN1KMT2A
SCHEMBL6879720 0.80 ESR1 (0.35) ESR1ESR2
SCHEMBL6876869 0.78 METAP1 (0.43) TSHRLMNAHTTMETAP1METAP2
SCHEMBL6744013 0.74 HSD17B10 (0.37) LMNAESR1KMT2AHSD17B10
SCHEMBL6739853 0.74 PFKFB3 (0.44) LMNAESR1CYP1A2ALDH1A1CYP2C19
SCHEMBL6742123 0.74 BCDIN3D (0.37) ESR1
SCHEMBL6740546 0.73 ESR1 (0.45) LMNAESR1CYP1A2CYP3A4ALDH1A1
SCHEMBL6879716 0.72 METAP2 (0.39) METAP1ESR1METAP2ESR2ALDH1A1

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-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK TSHR 2331/4885LMNA 4589/4885HTT 2183/4885

“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.