SCHEMBL6740772

SCHEMBL6740772

COc1ccc(CNc2nc(C)nc(C)c2Cl)cc1F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.56
TSHR P16473 1/20 0.47
PDE5A O76074 3/20 0.43
STAT1 P42224 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.42
MAPK1 P28482 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL6742014 0.88 TSHR (0.48) CHRM4TSHRPDE5ASTAT1BCDIN3D
SCHEMBL6743539 0.85 CCNB2 (0.47) CHRM4TSHRPDE5ASTAT1MAPK1
SCHEMBL6739651 0.83 KMT2A (0.47) TSHRSTAT1MAPK1
SCHEMBL6746130 0.82 ALPL (0.42) CHRM4
SCHEMBL6742318 0.80 MRGPRX1 (0.52) STAT1MAPK1
SCHEMBL6739846 0.80 SMN1; SMN2 (0.56) TSHRSTAT1MAPK1
SCHEMBL6745666 0.77 MAPT (0.45) TSHRBCDIN3DMAPK1
SCHEMBL21075960 0.76 CHRM4 (0.59) CHRM4PDE5ASTAT1BCDIN3D
SCHEMBL6746105 0.76 MAPT (0.46)
SCHEMBL6741661 0.76 MAPT (0.41) CHRM4TSHRKDM1AMAOAMAOB

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 CHRM4 4860/4885TSHR 2503/4885PDE5A 1557/4885

“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.