SCHEMBL4518958

SCHEMBL4518958

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccccc3F)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HKDC1 Q2TB90 2/20 0.43
TSHR P16473 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
PDE5A O76074 3/20 0.41
PDE1A P54750 3/20 0.41
PDE1B Q01064 3/20 0.41
PDE1C Q14123 3/20 0.41
CDK1 P06493 2/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PDE3B Q13370 2/20 0.38

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
SCHEMBL4521820 0.92 PDE4A (0.40) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4520110 0.92 SMN1; SMN2 (0.40) SMN1; SMN2HKDC1TSHRATML3MBTL1
SCHEMBL4531050 0.90 SMN1; SMN2 (0.42) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4529801 0.90 SMN1; SMN2 (0.39) SMN1; SMN2HKDC1TSHRATML3MBTL1
SCHEMBL4531589 0.90 HKDC1 (0.39) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4526238 0.89 YTHDC1 (0.43) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4531196 0.88 HKDC1 (0.39) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4521974 0.88 SMN1; SMN2 (0.39) SMN1; SMN2HKDC1TSHRATML3MBTL1
SCHEMBL4522632 0.86 HKDC1 (0.39) SMN1; SMN2HKDC1TSHRPDE4APDE4B
SCHEMBL4507591 0.86 MAT2A (0.43) SMN1; SMN2HKDC1TSHRCDK1PKM

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 SMN1; SMN2 3506/4885HKDC1 2603/4885TSHR 915/4885

“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.