SCHEMBL4501430

SCHEMBL4501430

Cc1nn(C(C)(C)C)c2nc(C3CN(C(=O)NC4CCCCC4)C3)[nH]c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KHK P50053 3/20 0.38
PDE5A O76074 1/20 0.35
PARP1 P09874 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR3C1 P04150 1/20 0.34
SPR P35270 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
SCHEMBL13865738 0.87 KHK (0.41) USP2POLBSMN1; SMN2KHKPDE5A
SCHEMBL13865754 0.82 KHK (0.40) USP2POLBSMN1; SMN2KHKPDE5A
SCHEMBL4521650 0.81 KHK (0.45) USP2POLBSMN1; SMN2LMNAKHK
SCHEMBL13865810 0.80 KHK (0.51) POLBSMN1; SMN2LMNAL3MBTL1KHK
SCHEMBL13865746 0.80 PDE5A (0.39) USP2POLBSMN1; SMN2KHKPDE5A
SCHEMBL4516105 0.79 RXFP1 (0.49) USP2POLBSMN1; SMN2KHKPDE5A
SCHEMBL4509689 0.79 CYP1A2 (0.49) USP2SMN1; SMN2KHKPDE5AHTT
SCHEMBL13865758 0.78 KHK (0.45) USP2SMN1; SMN2LMNAKHKPDE5A
SCHEMBL13865775 0.78 KHK (0.42) USP2POLBSMN1; SMN2LMNAKHK
SCHEMBL4498040 0.77 TSHR (0.41) USP2SMN1; SMN2KHKPDE5ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A USP2 1541/4885POLB 1938/4885SMN1; SMN2 980/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A USP2 1549/4885POLB 1160/4885SMN1; SMN2 714/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B USP2 970/4885POLB 701/4885SMN1; SMN2 3300/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A USP2 1541/4885POLB 1938/4885SMN1; SMN2 980/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A USP2 1564/4885POLB 1542/4885SMN1; SMN2 639/4885

“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.