SCHEMBL3258659

SCHEMBL3258659

CCC(=N)c1ccn(S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL568507 0.84 KMT2A (0.49) PKMMAPTKMT2ASAE1UBA2
SCHEMBL5271607 0.80 KMT2A (0.49) PKMMAPTKMT2ASAE1UBA2
SCHEMBL29808358 0.78 MAPT (0.48) PKMMAPTKMT2ASAE1UBA2
SCHEMBL22588443 0.76 KMT2A (0.52) PKMMAPTKMT2ASAE1UBA2
SCHEMBL3439392 0.75 ALDH1A1 (0.41) PKMMAPTKMT2ASAE1UBA2
SCHEMBL568119 0.75 ALDH1A1 (0.41) PKMMAPTKMT2ASAE1UBA2
SCHEMBL5268100 0.75 PKM (0.46) PKMMAPTKMT2ASAE1UBA2
SCHEMBL5985449 0.75 KMT2A (0.41) PKMMAPTKMT2ASAE1UBA2
SCHEMBL2230637 0.72 PKM (0.49) PKMMAPTKMT2ASAE1UBA2
SCHEMBL568960 0.72 PKM (0.46) PKMMAPTKMT2ASAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PKM 4864/4885MAPT 4650/4885KMT2A 2845/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 PKM 3136/4885MAPT 4278/4885KMT2A 4793/4885

“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.