SCHEMBL18878941

SCHEMBL18878941

CNc1csnc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K3 P46734 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ ACHE P22303 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NNMT P40261 3/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FLT1 P17948 3/20 0.31
▸ KDR P35968 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ LIMK1 P53667 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL27305842 0.82 TDP1 (0.50) MAP2K3MAPK14TDP1ACHEKDM4E
SCHEMBL23844208 0.75 FLT1 (0.39) GAAFLT1KDRTHRB
SCHEMBL23844430 0.75 SMN1; SMN2 (0.40) KDM4EALDH1A1CYP1A2CYP2C19FLT1
SCHEMBL20272409 0.74 — —
SCHEMBL18878942 0.71 — —
SCHEMBL19691191 0.71 TDP1 (0.41) MAP2K3TDP1ALDH1A1MEN1KMT2A
SCHEMBL27568251 0.69 — —
SCHEMBL24924067 0.69 — —
SCHEMBL9285893 0.68 TDP1 (0.52) MAP2K3TDP1KDM4EALDH1A1IKBKB
SCHEMBL20756054 0.66 — —

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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 — — 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 MAP2K3 102/4885MAPK14 201/4885TDP1 2154/4885

“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.

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