SCHEMBL4898321

SCHEMBL4898321

CSc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
DKK1 O94907 4/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 3/20 0.44
GSK3B P49841 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
AR P10275 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK13 O15264 1/20 0.41

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
SCHEMBL18703781 0.83 RAB9A (0.57) PIK3CALMNACYP1A2GSK3BHTT
SCHEMBL1034731 0.81 DUSP10 (0.54) PIK3CALMNAMEN1KMT2AL3MBTL1
SCHEMBL13934716 0.78 KDM4E (0.54) DKK1LMNACYP1A2GSK3BMEN1
SCHEMBL17561032 0.77 DYRK1A (0.51) PIK3CACYP1A2CYP2C9CYP2C19CYP1A1
SCHEMBL3569416 0.77 LMNA (0.48) PIK3CALMNAL3MBTL1KDM4ENPSR1
SCHEMBL3812923 0.76 KMO (0.55) PIK3CALMNAMEN1KMT2AL3MBTL1
SCHEMBL15229183 0.75 MAP4K4 (0.48) PIK3CALMNACYP1A2L3MBTL1MAPK1
SCHEMBL30467131 0.75 MAP4K4 (0.48) PIK3CALMNACYP1A2L3MBTL1MAPK1
SCHEMBL4526919 0.75 CYP1A2 (0.66) DKK1CYP1A2GSK3BHTTKDM4E
SCHEMBL19849978 0.75 DKK1 (0.49) DKK1LMNACYP1A2GSK3BMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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 (1 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 PIK3CA 1555/4885DKK1 9/4885LMNA 1805/4885

“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.