SCHEMBL19626552

SCHEMBL19626552

CN1C(=O)c2c(ncn2CC(=O)Nc2cc(-c3ccccc3)cs2)N(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ F2 P00734 2/20 0.34
▸ F10 P00742 2/20 0.34
▸ MEN1 O00255 2/20 0.34

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
SCHEMBL23416897 0.84 CYP1A2 (0.42) TRPA1TRPV4NPC1RAB9ACNR1
SCHEMBL19626366 0.80 PORCN (0.42) TRPA1TRPV4PORCN
SCHEMBL19626637 0.79 PORCN (0.51) PORCN
SCHEMBL23416909 0.79 PORCN (0.58) TRPA1CYP3A4PORCN
SCHEMBL22105261 0.78 PSEN1 (0.41) NPC1RAB9ACYP3A4ALDH1A1KMT2A
SCHEMBL21935695 0.78 PORCN (0.46) TRPA1TRPV4PORCNSMN1; SMN2F2
SCHEMBL22105260 0.76 KMT2A (0.46) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL19626687 0.75 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1HPGDALOX15
SCHEMBL19626686 0.75 RAB9A (0.52) TRPA1TRPV4NPC1RAB9AALDH1A1
SCHEMBL22105263 0.74 PORCN (0.40) TRPA1TRPV4CYP3A4ALDH1A1HSD17B10

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 2 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

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 TRPA1 1560/4885TRPV4 3072/4885NPC1 2489/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 TRPA1 1560/4885TRPV4 3072/4885NPC1 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.

Send feedback