SCHEMBL25737619

SCHEMBL25737619

CC1OOC1[C@H]1CNc2nc(N)[nH]c(=O)c2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.53
▸ NOS3 P29474 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ CASP7 P55210 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PAH P00439 1/20 0.43
▸ SOST Q9BQB4 1/20 0.33
▸ FPGS Q05932 2/20 0.33
▸ GART P22102 1/20 0.33

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
SCHEMBL10161108 0.83 NOS1 (0.51) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL584982 0.78 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
Hydrochloric Acid SCHEMBL16741181 0.76 NOS1 (0.62) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL2044797 0.70 NOS1 (0.78) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL9248337 0.69 NOS1 (0.72) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL4649231 0.69 NOS1 (0.72) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL4649233 0.69 NOS1 (0.72) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL10615701 0.68 NOS1 (0.71) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL188413 0.68 NOS1 (0.56) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL156195 0.68 KDM4E (0.57) NOS1NOS3NOS2CASP7HSD17B10

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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 NOS1 3916/4885NOS3 3941/4885NOS2 3886/4885

“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.

Send feedback