SCHEMBL29344204

SCHEMBL29344204

Nc1c(Cl)ccc2c(Cl)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.62
CYP2A6 P11509 3/20 0.62
NR4A2 P43354 3/20 0.60
TYMS P04818 1/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CHEK1 O14757 1/20 0.41
FLT3 P36888 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FPR2 P25090 1/20 0.40
MTOR P42345 1/20 0.40
CSNK1A1 P48729 1/20 0.40
MYLK Q15746 1/20 0.40
TP53 P04637 3/20 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
SCHEMBL29936869 1.00 CYP1A2 (0.62) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL11880529 0.84 TSHR (0.41) CYP1A2CYP2A6NR4A2CYP3A4TP53
SCHEMBL31238945 0.84 TSHR (0.41) CYP1A2CYP2A6NR4A2CYP3A4TP53
SCHEMBL4659232 0.84 NR4A2 (0.64) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL10432943 0.84 NR4A2 (0.64) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL25297003 0.80 CYP1A2 (0.54) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL28883426 0.80 CYP1A2 (0.54) CYP1A2CYP2A6NR4A2TYMSCHEK1
SCHEMBL31178732 0.80 CYP1A2 (0.54) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL2468811 0.79 CYP1A2 (1.00) CYP1A2CYP2A6NR4A2TYMSKMT2A
SCHEMBL29629127 0.79 CYP1A2 (1.00) CYP1A2CYP2A6NR4A2TYMSKMT2A

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 3 patents. 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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
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 CYP1A2 4576/4885CYP2A6 3523/4885NR4A2 4556/4885

“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.