SCHEMBL12390656

SCHEMBL12390656

Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HTT P42858 4/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ GAA P10253 8/20 0.85
▸ ALDH1A1 P00352 7/20 0.85
▸ HPGD P15428 3/20 0.85
▸ RAB9A P51151 2/20 0.85
▸ ALOX12 P18054 2/20 0.85
▸ CYP1A2 P05177 1/20 0.85
▸ CYP3A4 P08684 1/20 0.85
▸ CYP2D6 P10635 1/20 0.85
▸ CYP2C19 P33261 1/20 0.85
▸ PKM P14618 3/20 0.80
▸ POLB P06746 1/20 0.80
▸ KMT2A Q03164 5/20 0.77
▸ MEN1 O00255 4/20 0.77
▸ SMN1; SMN2 Q16637 4/20 0.77
▸ L3MBTL1 Q9Y468 2/20 0.77

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
SCHEMBL1684711 0.92 MAPT (1.00) MAPTKDM4ELMNAHTTMAPK1
Bromide SCHEMBL18040788 0.91 MAPT (0.98) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL1684905 0.90 MAPT (0.84) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL1684657 0.90 MAPT (0.84) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL1684579 0.90 MAPT (0.84) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL12012127 0.90 MAPT (0.98) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL12427000 0.90 MAPT (0.84) MAPTKDM4ELMNAHTTMAPK1
SCHEMBL1684452 0.90 MAPT (0.82) MAPTKDM4ELMNAHTTMAPK1
Bromide SCHEMBL3426202 0.89 MAPT (0.82) MAPTKDM4ELMNAHTTMAPK1
Bromide SCHEMBL18040748 0.89 MAPT (0.82) MAPTKDM4ELMNAHTTMAPK1

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-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2011-08-25 — — 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-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, NUDC MAPT 4772/4885KDM4E 3222/4885LMNA 3370/4885

“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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