SCHEMBL4416533

SCHEMBL4416533

Oc1ncnc2sc(-c3ccccc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
KDM4E B2RXH2 10/20 0.61
POLB P06746 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
FGFR1 P11362 4/20 0.60
GAA P10253 3/20 0.57
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
RCE1 Q9Y256 1/20 0.56
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55

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
SCHEMBL2977154 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL13708950 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL14115105 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL14090773 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL23657702 0.76 POLB (0.72) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL7121617 0.73 IKBKB (0.67) SMN1; SMN2NPC1RAB9AMAPTEGFR
SCHEMBL17200798 0.72 FDPS (0.78) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL16375362 0.72 EGFR (0.82) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17208170 0.71 FDPS (1.00) ALDH1A1KDM4EMEN1KMT2AGGPS1
SCHEMBL29368679 0.71 KDM4E (0.82) ALDH1A1KDM4EPOLBMEN1KMT2A

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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1195/4885KDM4E 4750/4885POLB 1627/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1039/4885KDM4E 4716/4885POLB 1729/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1195/4885KDM4E 4750/4885POLB 1627/4885

“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.