SCHEMBL19625481

SCHEMBL19625481

CC(C)(C)c1nc(-c2cc(F)c(N3CCOCC3)cc2F)cs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
WDR5 P61964 3/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL19625470 0.89 TSHR (0.37) ARALDH1A1LMNAMAOACYP1A2
SCHEMBL19626775 0.86 AR (0.46) ARALDH1A1WDR5MAOAMAOB
SCHEMBL19625473 0.84 ALDH1A1 (0.42) ALDH1A1LMNANPC1RAB9ACYP1A2
SCHEMBL19625363 0.82 AR (0.48) ARALDH1A1LMNANPC1RAB9A
SCHEMBL19625468 0.75 NPC1 (0.47) ARALDH1A1LMNAMAOANPC1
SCHEMBL19626783 0.75 TSHR (0.40) ALDH1A1LMNAMAOANPC1RAB9A
SCHEMBL19626793 0.74 NOTUM (0.52) ARLMNANPC1RAB9ACYP1A2
SCHEMBL17626121 0.74 ALDH1A1 (0.40) ARALDH1A1LMNANPC1RAB9A
SCHEMBL1309929 0.72 PIK3CA (0.47) ARLMNANPC1RAB9ACYP1A2
SCHEMBL19625461 0.71 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AHPGD

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 AR 281/4885ALDH1A1 1166/4885LMNA 2300/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 AR 281/4885ALDH1A1 1166/4885LMNA 2300/4885

“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.