SCHEMBL3432103

SCHEMBL3432103

CCNC(=O)Nc1cc(N2CC(C)OC(C)C2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
FGFR1 P11362 3/20 0.43
MAPT P10636 2/20 0.43
GSK3B P49841 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL3433484 1.00 WNT3A (0.44) WNT3AJAK2JAK1TYK2FGFR1
SCHEMBL19706559 0.87 MAPT (0.47) WNT3AFGFR1MAPTGSK3BLRRK2
SCHEMBL19699589 0.81 MAPT (0.45) WNT3ATYK2FGFR1MAPTGSK3B
SCHEMBL27854115 0.78 JAK2 (0.45) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL3434637 0.77 POLB (0.44) MAPTGSK3BMTOR
SCHEMBL3433622 0.77 POLB (0.44) MAPTGSK3BMTOR
SCHEMBL1505714 0.77 JAK2 (0.45) JAK2JAK1TYK2
SCHEMBL1269272 0.72 MAPK1 (0.52) JAK2JAK1TYK2MAPT
SCHEMBL20909667 0.71 SMN1; SMN2 (0.68) JAK2JAK1TYK2MAPT
SCHEMBL20889616 0.70 PKM (0.59) JAK2JAK1TYK2PIK3CA

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 WNT3A 3255/4885JAK2 1187/4885JAK1 1522/4885

“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.