SCHEMBL18878964

SCHEMBL18878964

CNc1c(-c2ccccc2)nnc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ENPP1 P22413 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL20272449 0.80 KDM4E (0.49) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL18878966 0.76 ALDH1A1 (0.43) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL18120562 0.64 ALDH1A1 (0.40) KDM4EMAPK1MAPTENPP1ALDH1A1
SCHEMBL23143345 0.64 SMN1; SMN2 (0.36) KDM4EMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL2323756 0.63 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5316044 0.61 EGLN2 (0.45) KDM4EMAPK1MAPTENPP1ALDH1A1
SCHEMBL14506996 0.61 KDM4E (0.52) KDM4EMAPK1MAPTENPP1ALDH1A1
SCHEMBL7096531 0.60 ALDH1A1 (0.48) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL11476738 0.60 ALDH1A1 (0.74) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL868954 0.59 KDM4E (0.49) KDM4EMAPK1MAPTALDH1A1SMN1; SMN2

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 KDM4E 1316/4885MAPK1 166/4885MAPT 2303/4885

“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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