SCHEMBL4903977

SCHEMBL4903977

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
POLB P06746 1/20 0.36
DAO P14920 1/20 0.35
KMT2A Q03164 3/20 0.35
FABP4 P15090 2/20 0.34
CCR2 P41597 1/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 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
SCHEMBL4895792 0.90 FABP4 (0.42) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL4897874 0.86 PDE5A (0.40) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL4903930 0.79 PDE5A (0.52) PDE5APDE1APDE1BPDE1CPOLB
SCHEMBL4904099 0.75 PDE5A (0.40) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5133782 0.73 CXCR1 (0.37) TSHRALDH1A1HSD17B10MCHR1
SCHEMBL4117755 0.72 KDM4E (0.41) PDE9APDE5APOLBKMT2ATSHR
SCHEMBL4002977 0.70 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4905660 0.70 MAPT (0.39) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4902017 0.69 PDE5A (0.52) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL4893052 0.69 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A

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 PDE9A 12/4885PDE5A 7/4885PDE1A 21/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885PDE5A 1/4885PDE1A 13/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE9A 34/4885PDE5A 1/4885PDE1A 13/4885

“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.