SCHEMBL2882241

SCHEMBL2882241

O=Cc1ccc2ncnc(N3CCC(CCc4ccccc4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.49
KIT P10721 8/20 0.47
ACHE P22303 1/20 0.47
PDGFRA P16234 1/20 0.46
FLT3 P36888 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41

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
SCHEMBL2882419 0.89 STAT3 (0.57) ENPP1KITPDGFRAFLT3HTT
SCHEMBL2882372 0.83 PIK3CD (0.49) NPC1HPGD
SCHEMBL2882369 0.83 PIK3CD (0.49) NPC1HPGD
SCHEMBL27602718 0.80 LMNA (0.44) ENPP1KITPDGFRAFLT3CYP1A2
SCHEMBL2880253 0.79 HTT (0.60) ENPP1CYP1A2HTTSMN1; SMN2NPC1
SCHEMBL2882078 0.79 ENPP1 (0.48) ENPP1CYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL2882279 0.76 PRKDC (0.47) ENPP1HTTSMN1; SMN2MAPTALDH1A1
SCHEMBL2882868 0.76 KIT (0.48) KITACHEPDGFRAFLT3CYP1A2
SCHEMBL2882262 0.74 HTT (0.65) ACHECYP1A2CYP2D6HTTSMN1; SMN2
SCHEMBL2877353 0.74 PTK2 (0.59) CYP1A2CYP2D6CYP3A4ALDH1A1LMNA

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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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 (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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX ENPP1 3962/4885KIT 1526/4885ACHE 1865/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 ENPP1 1156/4885KIT 1606/4885ACHE 3599/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B ENPP1 3920/4885KIT 1833/4885ACHE 2042/4885

“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.