SCHEMBL13304569

SCHEMBL13304569

Cc1nc(N)nc(C)c1I

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
NUDT1 P36639 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR7 Q9NYK1 2/20 0.33
HSP90AB1 P08238 1/20 0.33
GRM4 Q14833 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL3691752 0.86 TLR8 (0.44) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL19313320 0.86 TLR8 (0.44) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL392017 0.82 TLR8 (0.42) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL10201389 0.82 TLR8 (0.42) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL4104572 0.78 CCNA2 (0.41) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL18675780 0.75 ALDH1A1 (0.40) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL7919954 0.73 KDM4E (0.50) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL9644113 0.73 ALDH1A1 (0.50) TLR8KDM4EALDH1A1LMNACYP1A2
SCHEMBL21509288 0.73
SCHEMBL19016868 0.73

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 6 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
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 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-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD TLR8 3886/4885KDM4E 865/4885ALDH1A1 2333/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS TLR8 4495/4885KDM4E 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.