SCHEMBL25873402

SCHEMBL25873402

Cc1nccc(Oc2ccc(N)cc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
KMT2A Q03164 1/20 0.47
TEAD4 Q15561 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAOA P21397 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL17179266 0.83 MEN1 (0.44) MEN1APAF1KMT2ATEAD4ALDH1A1
SCHEMBL7997563 0.81 PTGS1 (0.43) MAPTTSHRSMN1; SMN2CCNCCDK8
SCHEMBL18418112 0.80 MAPT (0.36) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL4796326 0.79 MEN1 (0.56) MEN1APAF1KMT2ATEAD4ALDH1A1
SCHEMBL31179951 0.78 TEAD4 (0.60) MEN1APAF1KMT2ATEAD4ALDH1A1
SCHEMBL27944963 0.78 PARP10 (0.46) MEN1APAF1KMT2ATEAD4ALDH1A1
SCHEMBL18418110 0.77 SLC6A4 (0.42) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL13603241 0.77 ALDH1A1 (0.46) MEN1APAF1KMT2ATEAD4ALDH1A1
SCHEMBL25873407 0.76 HTT (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4799889 0.75 TEAD4 (0.47) MEN1APAF1KMT2ATEAD4ALDH1A1

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-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 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 (2 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 MEN1 1849/4885APAF1 3129/4885KMT2A 1670/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 MEN1 1849/4885APAF1 3129/4885KMT2A 1670/4885

“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.