SCHEMBL6742014

SCHEMBL6742014

COc1ccc(CNc2nc(C)nc(C)c2Cl)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
PDE5A O76074 6/20 0.45
STAT1 P42224 1/20 0.45
CHRM4 P08173 1/20 0.44
MAPK1 P28482 1/20 0.42
BCDIN3D Q7Z5W3 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
APP P05067 1/20 0.40
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6743539 0.88 CCNB2 (0.47) TSHRPDE5ASTAT1CHRM4MAPK1
SCHEMBL6740772 0.88 CHRM4 (0.56) TSHRPDE5ASTAT1CHRM4MAPK1
SCHEMBL6739651 0.85 KMT2A (0.47) TSHRSTAT1MAPK1POLBGAA
SCHEMBL6742318 0.82 MRGPRX1 (0.52) STAT1MAPK1GAABCHEMEN1
SCHEMBL6739846 0.82 SMN1; SMN2 (0.56) TSHRSTAT1MAPK1GAAAPP
SCHEMBL6740970 0.82 ALPL (0.43) KMT2A
SCHEMBL6745666 0.79 MAPT (0.45) TSHRMAPK1BCDIN3DPOLBMEN1
SCHEMBL6739468 0.76 ALDH1A1 (0.48) TSHRPDE5ASTAT1MAPK1POLB
SCHEMBL6743052 0.75 ESR1 (0.49) MAPK1POLBGAAMEN1KMT2A
SCHEMBL6870999 0.74 TSHR (0.36) TSHRMAPK1GAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818642-B2 CAMPYLOBACTER INFECTION TREATMENT ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 US disclosed
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP disclosed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES 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-20040152714-A1 Benzylaminopyrimidines DPYD, PGLS, TPMT TSHR 2503/4885PDE5A 1557/4885STAT1 3120/4885

“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.