SCHEMBL29683602

SCHEMBL29683602

O=C(NOC[C@H](O)CO)c1ncc2cncn2c1Nc1ccc(I)cc1F

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.83
MAP2K1 Q02750 15/20 0.67
MAP2K2 P36507 3/20 0.55
BRAF P15056 1/20 0.55
MAPK1 P28482 1/20 0.55
MAP2K5 Q13163 1/20 0.55
CYP2C9 P11712 1/20 0.53

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
SCHEMBL1615877 1.00 KCNH2 (0.83) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL1615879 1.00 KCNH2 (0.83) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL18789312 0.92 KCNH2 (0.87) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL29683672 0.90 KCNH2 (1.00) KCNH2MAP2K1CYP2C9
SCHEMBL1614858 0.90 KCNH2 (1.00) KCNH2MAP2K1CYP2C9
SCHEMBL1616260 0.90 KCNH2 (0.67) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL1616256 0.90 KCNH2 (0.67) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL29683686 0.90 KCNH2 (0.67) KCNH2MAP2K1MAP2K2BRAFMAPK1
SCHEMBL19223717 0.90 KCNH2 (0.70) KCNH2MAP2K1MAP2K2
SCHEMBL29683598 0.88 KCNH2 (0.78) KCNH2MAP2K1MAP2K2BRAFMAPK1

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-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2024-11-28 US disclosed
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2022-04-07 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-20240390488-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885MAP2K1 13/4885MAP2K2 17/4885
US-20220105180-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885MAP2K1 13/4885MAP2K2 17/4885

“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.