SCHEMBL19625345

SCHEMBL19625345

Cc1ccc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.64
▸ RAB9A P51151 10/20 0.64
▸ NPC1 O15118 9/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ MAPT P10636 5/20 0.64
▸ STAT1 P42224 1/20 0.64
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 5/20 0.50
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49

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
SCHEMBL6496545 0.87 PTGS1 (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL23402744 0.80 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6451935 0.80 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL1143708 0.78 RAB9A (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL13869061 0.77 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAA
SCHEMBL2608434 0.77 ALDH1A1 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL19626646 0.76 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL12859412 0.76 MAPT (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL28616976 0.75 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL12298702 0.74 CDK8 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT

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 SMN1; SMN2 4828/4885RAB9A 3162/4885NPC1 2489/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885RAB9A 3162/4885NPC1 2489/4885

“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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