SCHEMBL29344105

SCHEMBL29344105

Cc1nc2c(B(O)O)cccc2o1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKLR P30613 2/20 0.32
CGAS Q8N884 1/20 0.31
ENPP2 Q13822 1/20 0.31
TOP2A P11388 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20297872 0.80 HTR3A (0.40) ELANEKDM4EMGLLHSD17B10TDP1
SCHEMBL1067846 0.77 METAP2 (0.46) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL5537231 0.76 ELANE (0.61) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL30515124 0.76 ELANE (0.41) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL28623812 0.76 TOP2A (0.50) KDM4EALDH1A1MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL28600968 0.75 ELANE (0.59) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL24807093 0.73 ELANE (0.44) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL5077318 0.73 ELANE (0.44) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL2761642 0.73 ELANE (0.44) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL5544045 0.73 ELANE (0.44) ELANEKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 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 (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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS ELANE 1381/4885KDM4E 3110/4885ALDH1A1 2871/4885

“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.