SCHEMBL19626792

SCHEMBL19626792

CC(C)(C)c1nc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.45
MPL P40238 1/20 0.44
S1PR1 P21453 2/20 0.43
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
ASIC3 Q9UHC3 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39

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
SCHEMBL19626793 0.89 NOTUM (0.52) NOTUMMPLS1PR1PDE3BPDE3A
SCHEMBL19626779 0.88 ALDH1A1 (0.47) NOTUMMPLS1PR1PDE3BPDE3A
SCHEMBL19626597 0.87 TRIM24 (0.48) NOTUMMPLS1PR1PDE3BPDE3A
SCHEMBL19626610 0.87 MPL (0.41) NOTUMMPLPDE3BPDE3AASIC3
SCHEMBL19625524 0.86 RAB9A (0.43) KDM4EALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL19625465 0.85 RAB9A (0.42) KDM4EALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL19625461 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HPGDCYP3A4CYP2C19
SCHEMBL19625429 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL17400548 0.84 MPL (0.63) NOTUMMPLS1PR1PDE3BPDE3A
SCHEMBL19625373 0.82 RAB9A (0.44) KDM4EALDH1A1HSD17B10HPGDCYP1A2

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 NOTUM 4296/4885MPL 2005/4885S1PR1 1795/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885MPL 2005/4885S1PR1 1795/4885

“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.