SCHEMBL6743539

SCHEMBL6743539

COc1ccc(CNc2nc(C)nc(C)c2Cl)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
TSHR P16473 2/20 0.47
TRPV1 Q8NER1 3/20 0.43
PDE5A O76074 2/20 0.43
STAT1 P42224 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41

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
SCHEMBL6739651 0.90 KMT2A (0.47) TSHRSTAT1ALOX15MEN1KMT2A
SCHEMBL6742014 0.88 TSHR (0.48) TSHRPDE5ASTAT1CHRM4CYP1A2
SCHEMBL6740772 0.85 CHRM4 (0.56) TSHRPDE5ASTAT1CHRM4MAPK1
SCHEMBL6740970 0.82 ALPL (0.43) KMT2A
SCHEMBL6746130 0.80 ALPL (0.42) CHRM4KMT2A
SCHEMBL6742318 0.80 MRGPRX1 (0.52) STAT1ALOX12MEN1LMNAKMT2A
SCHEMBL6739846 0.80 SMN1; SMN2 (0.56) TSHRSTAT1ALOX12MEN1LMNA
SCHEMBL6743861 0.79 TSHR (0.39) TSHRSTAT1CHRM4ALOX15MEN1
SCHEMBL6743052 0.79 ESR1 (0.49) ALOX15ALOX12MEN1KMT2AGAA
SCHEMBL6739468 0.79 ALDH1A1 (0.48) TSHRTRPV1PDE5ASTAT1ALOX15

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 CCNB2 1020/4885CDK1 1269/4885CCNB1 743/4885

“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.