SCHEMBL8874272

SCHEMBL8874272

Nc1ccnc2snnc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.32
NCF1 P14598 1/20 0.32
TDO2 P48775 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NOS1 P29475 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20272423 0.75 CCR1 (0.40)
SCHEMBL18878954 0.71 GRM1 (0.33)
SCHEMBL16381310 0.69 NR4A2 (0.48) NR4A2NCF1ALDH1A1TSHRNOS1
SCHEMBL13586024 0.68 PI4KA (0.50) NR4A2NCF1ALDH1A1TSHRNOS1
SCHEMBL9615205 0.67 TDO2 (0.33) TDO2HSD17B10
SCHEMBL8874949 0.67 AURKA (0.35) NCF1TDO2NOS1
SCHEMBL313921 0.64 KDM4E (0.41) TDO2ALDH1A1TSHRHSD17B10
SCHEMBL6585704 0.62 NCF1 (0.41) NR4A2NCF1TDO2ALDH1A1TSHR
SCHEMBL659651 0.61 MEN1 (0.38) ALDH1A1
SCHEMBL966279 0.61 DYRK1A (0.55) NR4A2NCF1ALDH1A1TSHRNOS1

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 3 patents. 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
US-5616590-A FUSED THIADIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
EP-0690061-A1 Substituted pyridobenzothiadiazoles process and intermediates for their preparation and their use as microbicides CIBA-GEIGY AG (CH) 1996-01-03 EP 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 NR4A2 838/4885NCF1 959/4885TDO2 2516/4885

“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.