SCHEMBL5545990

SCHEMBL5545990

N#CCCc1ccc2nccc(C=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
RAB9A P51151 1/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33

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
SCHEMBL16247856 0.82 SLC22A12 (0.50) SLC22A12MEN1KMT2AKDM5AKDM5B
SCHEMBL16247942 0.79 SLC22A12 (0.50) SLC22A12MEN1KMT2AKDM5AKDM5B
SCHEMBL16247960 0.79 SLC22A12 (0.56) SLC22A12MEN1KMT2AKDM5AKDM5B
SCHEMBL3400822 0.74 SLC22A12 (0.46) SLC22A12CCR1CCR5CCR8IDO1
SCHEMBL20125489 0.72 KDM5B (0.63) SLC22A12KDM5AKDM5B
SCHEMBL4798760 0.72 MEN1 (0.44) SLC22A12MEN1KMT2ACDK1
SCHEMBL663301 0.71 MEN1 (0.47) SLC22A12MEN1KMT2ANPSR1CDK1
SCHEMBL11822451 0.71 KMT2A (0.43) SLC22A12MEN1KMT2AL3MBTL1CDK1
SCHEMBL24956766 0.68 HTR1A (0.51) SLC22A12MEN1KMT2ACCR1CCR5
SCHEMBL3252945 0.68 NR4A2 (0.58) MEN1KMT2ACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176314-B2 IkB kinases (IKK) enzyme inhibitors, a imidazole-5-yl-quinoline derivatives compounds AMGEN, INC. (US) 2007-02-13 US disclosed
US-20030181472-A1 Inflammation modulators TULARIK INC. 2003-09-25 US disclosed
WO-2003048152-A2 INFLAMMATION MODULATORS TULARIK INC. (US) 2003-06-12 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-20030181472-A1 Inflammation modulators NFATC1, NFKBIA, RELA SLC22A12 4446/4885MEN1 4672/4885KMT2A 3709/4885

“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.