SCHEMBL18878966

SCHEMBL18878966

Nc1c(-c2ccccc2)nnc2ncnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GLA P06280 2/20 0.36

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) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL18878964 0.76 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL5593173 0.73 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL5229531 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL10372114 0.70 NPC1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL5225381 0.67 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL23143345 0.67 SMN1; SMN2 (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTCSNK1A1
SCHEMBL10430692 0.65 XDH (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL21731040 0.64 SRC (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL11146247 0.64 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT

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 ALDH1A1 4542/4885KDM4E 1316/4885SMN1; SMN2 1298/4885

“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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