SCHEMBL4267083

SCHEMBL4267083

CNC(=O)c1cncc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.47
KDM4E B2RXH2 3/20 0.46
RAF1 P04049 3/20 0.44
KLKB1 P03952 2/20 0.43
KLK1 P06870 2/20 0.43
PLK1 P53350 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13467130 0.86 SMYD3 (0.57) SMYD3KDM4ERAF1PLK1ALDH1A1
SCHEMBL5909485 0.82 RAF1 (0.53) KDM4ERAF1PLK1MKNK1MKNK2
SCHEMBL19961181 0.81 RAF1 (0.42) SMYD3KDM4ERAF1PLK1MKNK1
SCHEMBL12407009 0.81 ATM (0.59) SMYD3KDM4ESLC7A5SIRT2SIRT1
SCHEMBL509510 0.79 CYP11B2 (0.49) SMYD3KDM4ERAF1MKNK1MKNK2
SCHEMBL1244630 0.79 KDM4E (0.57) SMYD3KDM4ERAF1MKNK1MKNK2
SCHEMBL3934325 0.78 KDM4E (0.60) SMYD3KDM4ERAF1PLK1MKNK1
SCHEMBL4267075 0.78 MKNK1 (0.49) KDM4ERAF1MKNK1MKNK2SIRT2
SCHEMBL10274534 0.76 HCAR2 (0.62) SMYD3KDM4ERAF1PLK1MKNK1
SCHEMBL3168799 0.76 KDM4E (0.59) KDM4ERAF1PLK1MKNK1MKNK2

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-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 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 (1 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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 SMYD3 3047/4885KDM4E 4244/4885RAF1 977/4885

“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.