SCHEMBL4895933

SCHEMBL4895933

OCCCNc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
XBP1 P17861 2/20 0.51
HTT P42858 2/20 0.51
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
CDK1 P06493 2/20 0.51
CDK2 P24941 2/20 0.51
MTOR P42345 2/20 0.51
SMG1 Q96Q15 2/20 0.51
CCNT1 O60563 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51

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
SCHEMBL4522330 0.92 EIF2AK2 (0.55) MAPK1NPC1RAB9AMAPTXBP1
SCHEMBL3651986 0.87 DKK1 (0.48) NPC1RAB9ADYRK1BPIM1PIM2
SCHEMBL3644727 0.84 DKK1 (0.50) NPC1RAB9ACDK2DYRK1BPIM1
SCHEMBL3651615 0.82 CDK2 (0.56) RAB9AMAPTHTTCDK2CCNT1
SCHEMBL3650785 0.81 GSK3B (0.47) NPC1RAB9ACCNT1CDK9DYRK1B
SCHEMBL3651697 0.80 DYRK1A (0.54) NPC1RAB9ACDK2DYRK1BDKK1
SCHEMBL3645075 0.80 MKNK1 (0.60) CDK2CCNT1CCNA2CDK9DYRK1B
SCHEMBL7451097 0.79 PRKCA (0.51) MAPK1NPC1RAB9AMAPTXBP1
SCHEMBL3648590 0.78 MKNK1 (0.61) NPC1RAB9ACDK4GSK3BKDM4E
SCHEMBL4906020 0.78 DKK1 (0.43) MAPK1NPC1RAB9AHTTCDK2

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 MAPK1 1144/4885NPC1 968/4885RAB9A 1678/4885

“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.