SCHEMBL6072406

SCHEMBL6072406

NC(=O)c1n[nH]c2[c]cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LCK P06239 1/20 0.36
MAP2K3 P46734 1/20 0.36
MAP2K6 P52564 1/20 0.36
BTK Q06187 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
NEK10 Q6ZWH5 1/20 0.36
YTHDC1 Q96MU7 1/20 0.34
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CDK2 P24941 2/20 0.33
CCNA2 P20248 1/20 0.33
FLT3 P36888 1/20 0.33
CCNA1 P78396 1/20 0.33
ELANE P08246 1/20 0.33
CTNNB1 P35222 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
SCHEMBL2018265 0.85 KDM4E (0.38) KDM4EYTHDC1STAT3HIF1ACDK2
SCHEMBL2564745 0.74 PDPK1 (0.47) KDM4EJAK2CDK2FLT3POLB
SCHEMBL82761 0.72 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1ACDK2
Hydrochloric Acid SCHEMBL30404733 0.70 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1ACDK2
Hydrochloric Acid SCHEMBL5071439 0.70 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1ACDK2
SCHEMBL6341229 0.70 KDM4E (0.68) KDM4EPOLBKMT2ACYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL2175299 0.70 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1ACDK2
Hydrochloric Acid SCHEMBL29962256 0.70 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1ACDK2
Formic Acid SCHEMBL5987899 0.70 KDM4E (0.55) KDM4EYTHDC1STAT3HIF1ACDK2
SCHEMBL135237 0.69 CYP1A2 (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US disclosed
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KDM4E 950/4885LCK 4691/4885MAP2K3 2119/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 KDM4E 2664/4885LCK 3568/4885MAP2K3 2662/4885

“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.