SCHEMBL21087162

SCHEMBL21087162

Cc1cncc(CCc2nccc(Cc3ccc(F)c(C)c3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
PDE10A Q9Y233 2/20 0.33
DAO P14920 1/20 0.32
AKT1 P31749 1/20 0.32
GRIN2B Q13224 8/20 0.31
GRIN1 Q05586 5/20 0.31
RXRA P19793 2/20 0.31
MMP13 P45452 1/20 0.31
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL21360895 0.73 PDE10A (0.31) PDE10A
SCHEMBL24400875 0.67 CYP2D6 (0.33) PDE10AGRIN2BGRIN1GRM5
SCHEMBL21087455 0.66 DHFR (0.39) MPOKLKB1
SCHEMBL10834770 0.66 CYP2D6 (0.38) PDE10ACYP11B1CYP11B2
SCHEMBL17971122 0.64 ESR1 (0.54) MPODAOMMP13CYP11B1CYP11B2
SCHEMBL23716265 0.64 RXRA (0.39) MPODAOGRIN2BGRIN1RXRA
SCHEMBL20155158 0.64 CDK2 (0.30)
SCHEMBL20198479 0.63 PDE10A (0.53) PDE10AKLKB1KLK1
SCHEMBL30947575 0.63 MMP13 (0.42) MPODAOGRIN2BGRIN1MMP13
SCHEMBL27022506 0.63 HSP90AB1 (0.45) SLC6A2SLC6A3

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-10662189-B2 PDE4 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-05-26 US disclosed
US-20190177318-A1 PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-06-13 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-20190177318-A1 PDE4 INHIBITOR PDE4A, PDE12, PDE4B MPO 770/4885PDE10A 14/4885DAO 864/4885
US-10662189-B2 PDE4 inhibitor PDE4A, PDE12, PDE4B MPO 770/4885PDE10A 14/4885DAO 864/4885

“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.