SCHEMBL914802

SCHEMBL914802

Cc1nc(COc2cccc3[nH]c(C(=O)NC4CCNCC4)cc23)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
PTK2 Q05397 7/20 0.41
TOP2A P11388 2/20 0.41
SRD5A2 P31213 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK14 Q16539 1/20 0.38
KHK P50053 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5788221 0.90 PTK2 (0.40) SMYD3PTK2TOP2ASRD5A2NPC1
SCHEMBL914662 0.85 PARP1 (0.48) PARP1
SCHEMBL6963683 0.81 KMT2A (0.37) RAB9APARP1KMT2A
SCHEMBL915005 0.81 SRD5A2 (0.61) HTR2AHTR2CSLC6A4HTR2BSRD5A2
SCHEMBL914803 0.80 L3MBTL1 (0.44) HTR2AHTR2CSLC6A4HTR2BSRD5A2
SCHEMBL914072 0.79 SMYD3 (0.47) SMYD3SRD5A2NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL916268 0.78 SMYD3 (0.46) SMYD3SRD5A2NPC1POLBRAB9A
SCHEMBL914457 0.77 SMYD3 (0.44) SMYD3SRD5A2NPC1POLBRAB9A
SCHEMBL914691 0.77 SRD5A2 (0.47) SMYD3TOP2ASRD5A2NPC1POLB
SCHEMBL5785835 0.76 PARP1 (0.46) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SMYD3 3615/4885HTR2A 1347/4885HTR2C 2074/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SMYD3 3572/4885HTR2A 1370/4885HTR2C 2053/4885

“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.