SCHEMBL3028697

SCHEMBL3028697

O=C(O)c1cccc2nc(CCN3CCC(O)CC3)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.41
JAK1 P23458 5/20 0.39
JAK2 O60674 1/20 0.38
HTR2A P28223 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
TERT O14746 1/20 0.35
HTR2C P28335 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3027230 0.90 HTR2A (0.37) JAK1HTR2ASPHK1HTR2CTP53
SCHEMBL3031736 0.85 HRH2 (0.36) JAK1HTR2AHTR2CTP53RAB9A
SCHEMBL3031734 0.85 HRH2 (0.36) JAK1HTR2AHTR2CTP53RAB9A
SCHEMBL3028693 0.81 PTPN11 (0.37) JAK1HTR2AHTR2CTP53RAB9A
SCHEMBL13238647 0.80 HTR4 (0.42) JAK1JAK2HTR2AKCNH2KDM4E
SCHEMBL14898665 0.80 P2RX7 (0.41) JAK1TP53KDM4EMEN1KMT2A
SCHEMBL3021189 0.77 RAB9A (0.41) TP53RAB9AKDM4EMEN1MAPT
SCHEMBL3040124 0.76 RAB9A (0.41) TP53RAB9AKDM4EMAPTHPGD
SCHEMBL14943870 0.76 HTR4 (0.36) JAK1JAK2
SCHEMBL3038296 0.74 HSD17B10 (0.46) TP53RAB9AKDM4EMEN1CYP2D6

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 KCNA3 1295/4885JAK1 3201/4885JAK2 1215/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 KCNA3 1295/4885JAK1 3201/4885JAK2 1215/4885

“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.