SCHEMBL2882279

SCHEMBL2882279

O=Cc1ccc2ncnc(N3CCCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
HTT P42858 6/20 0.47
MAP4K4 O95819 1/20 0.46
ALDH1A3 P47895 3/20 0.46
ENPP1 P22413 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
JAK3 P52333 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
JAK2 O60674 1/20 0.44
IP6K1 Q92551 1/20 0.43
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43

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
SCHEMBL2882262 0.86 HTT (0.65) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2877353 0.86 PTK2 (0.59) PRKDCALDH1A3ALDH1A1JAK3LMNA
SCHEMBL2882868 0.85 KIT (0.48) HTTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL2882078 0.84 ENPP1 (0.48) HTTENPP1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2880253 0.84 HTT (0.60) HTTENPP1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2882362 0.78 HTT (0.46) HTTENPP1SMN1; SMN2KDM4ELMNA
SCHEMBL2882270 0.78 CISD1 (0.53) HTTMAPT
SCHEMBL2882419 0.78 STAT3 (0.57) PRKDCHTTENPP1ALDH1A1SMN1; SMN2
SCHEMBL2882271 0.78 CISD1 (0.53) HTTMAPT
SCHEMBL1734528 0.78 PRKDC (0.53) PRKDCHTTMAP4K4ENPP1ALDH1A1

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 12 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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX PRKDC 3148/4885HTT 1649/4885MAP4K4 3613/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 PRKDC 246/4885HTT 3887/4885MAP4K4 188/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B PRKDC 3293/4885HTT 1583/4885MAP4K4 3761/4885

“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.