SCHEMBL19625365

SCHEMBL19625365

CC(C)(C)c1ccnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.45
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ KMO O15229 2/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ SREBF2 Q12772 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 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
SCHEMBL27344642 0.91 KIF11 (0.43) KMT2AMAPTTGFBR1KIF11NPC1
SCHEMBL31695223 0.91 KIF11 (0.43) KMT2AMAPTTGFBR1KIF11NPC1
SCHEMBL29904515 0.87 KIF11 (0.50) KMT2AMAPTTGFBR1KIF11NPC1
SCHEMBL361274 0.87 KIF11 (0.50) KMT2AMAPTTGFBR1KIF11NPC1
SCHEMBL21049961 0.85 KIF11 (0.53) KMT2AMAPTTGFBR1KIF11NPC1
SCHEMBL24526307 0.84 TSHR (0.45) MEN1KMT2AMAPTTGFBR1LMNA
SCHEMBL34467626 0.83 TGFBR1 (0.44) MAPTTGFBR1MAPKAPK2KIF11L3MBTL1
SCHEMBL28726706 0.82 NOS3 (0.47) MAP4K4MEN1KMT2AMAPTTGFBR1
SCHEMBL15263671 0.82 KIF11 (0.46) MAP4K4KMT2AMAPTTGFBR1LMNA
SCHEMBL12276192 0.82 GCGR (0.40) MEN1KMT2ATGFBR1MAPKAPK2GCGR

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-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 MAP4K4 1917/4885MEN1 4625/4885KMT2A 3504/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MAP4K4 1917/4885MEN1 4625/4885KMT2A 3504/4885

“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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