SCHEMBL12794872

SCHEMBL12794872

CCOC(=O)c1cnc(N)c2ncn(CCO)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HPGD P15428 2/20 0.42
STAT1 P42224 1/20 0.42
MAPT P10636 1/20 0.42
CSNK1D P48730 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL986157 0.93 ADORA2A (0.45) RAB9ANPC1KDM4EADORA2AALDH1A1
SCHEMBL984958 0.90 KDM4E (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL986392 0.89 NPC1 (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL984956 0.89 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL987310 0.88 NPC1 (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27772450 0.86 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12794868 0.82 RAB9A (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL986279 0.81 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL987308 0.69 CSNK2A2 (0.44) ADORA2AADORA1ALDH1A1
SCHEMBL4791366 0.69 BAZ2B (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B RAB9A 1447/4885NPC1 1885/4885KDM4E 401/4885

“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.