SCHEMBL3465310

SCHEMBL3465310

Cc1cc([CH]CC(N)=O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CB P42338 1/20 0.39
UHRF1 Q96T88 1/20 0.38
HTT P42858 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
NR3C2 P08235 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
WNT3A P56704 2/20 0.32
SORT1 Q99523 1/20 0.32

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
SCHEMBL3464984 0.81 ALDH1A1 (0.40) CCNCCDK8KMT2AALDH1A1MAPK1
SCHEMBL3465340 0.80 RECQL (0.41) CCNCCDK8SMARCA2SMARCA4FFAR1
SCHEMBL3465263 0.80 ADORA3 (0.38) CCNCCDK8ALDH1A1
SCHEMBL3465006 0.80 KDM1A (0.48) KMT2AALDH1A1MAPK1HDAC1HDAC6
SCHEMBL3465344 0.80 NNMT (0.39) NR3C2
SCHEMBL3258611 0.80 KMT2A (0.37) KMT2AALDH1A1MAPK1
SCHEMBL4327134 0.79 CCNC (0.44) CCNCCDK8KMT2APIK3CBUHRF1
SCHEMBL3465648 0.79 GRM2 (0.34) ALDH1A1
SCHEMBL3465730 0.79 ALDH1A1 (0.35) ALDH1A1MAPK1HDAC3HDAC1HDAC2
SCHEMBL3465567 0.78 ALDH1A1 (0.32) KMT2AALDH1A1MAPK1

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
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

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 CCNC 2362/4885CDK8 691/4885KMT2A 2845/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCNC 1393/4885CDK8 505/4885KMT2A 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.