SCHEMBL4895792

SCHEMBL4895792

CN(Cc1ccc(Cl)cc1)c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.42
PDE9A O76083 4/20 0.42
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
KMT2A Q03164 1/20 0.37
LSS P48449 2/20 0.37
MAPK1 P28482 1/20 0.34
CCR2 P41597 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.33
POLB P06746 1/20 0.33
MAT2A P31153 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4902017 0.79 PDE5A (0.52) FABP4PDE5APDE1APDE1BPDE1C
SCHEMBL4904099 0.75 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4002977 0.75 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5134135 0.73 LSS (0.39) LSS
SCHEMBL4903954 0.71 CLPP (0.44)
SCHEMBL4903930 0.69 PDE5A (0.52) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4902249 0.69 PDE5A (0.49) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL4896849 0.69 PDE5A (0.47) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4903689 0.68 PDE5A (0.62) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL4903679 0.68 PDE5A (0.51) PDE9APDE5APDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO 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 (3 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B FABP4 2521/4885PDE9A 12/4885PDE5A 7/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A FABP4 3517/4885PDE9A 40/4885PDE5A 1/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A FABP4 3664/4885PDE9A 34/4885PDE5A 1/4885

“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.