SCHEMBL3028693

SCHEMBL3028693

NC1CCCN(CCc2cn3c(C(=O)O)cccc3n2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.37
JAK1 P23458 1/20 0.34
SLC6A1 P30531 1/20 0.33
SLC6A11 P48066 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 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
SCHEMBL3031736 0.94 HRH2 (0.36) JAK1HTR2AHTR2CKDM4EKMT2A
SCHEMBL3031734 0.94 HRH2 (0.36) JAK1HTR2AHTR2CKDM4EKMT2A
SCHEMBL3027230 0.87 HTR2A (0.37) JAK1HTR2AHTR2CKDM4EKMT2A
SCHEMBL3028697 0.81 KCNA3 (0.41) JAK1HTR2AHTR2CKDM4EKMT2A
SCHEMBL14898667 0.81 P2RX7 (0.40) KDM4EKMT2ATP53
SCHEMBL13238648 0.80 P2RX7 (0.37) PTPN11JAK1KDM4EKMT2A
SCHEMBL15436734 0.78 HTR4 (0.32) PTPN11JAK1
SCHEMBL14898663 0.75 P2RX7 (0.39) KDM4EKMT2ATP53
SCHEMBL3040124 0.74 RAB9A (0.41) KDM4ETP53RAB9A
SCHEMBL13238646 0.74 P2RX7 (0.41) JAK1HTR2AKDM4EKMT2A

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
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP claimed
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
EP-2591675-A1 Heteroaryl amide derivatives H. Lundbeck A/S (DK) 2013-05-15 EP disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 PTPN11 3838/4885JAK1 3201/4885SLC6A1 2160/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 PTPN11 3838/4885JAK1 3201/4885SLC6A1 2160/4885

“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.