SCHEMBL18399563

SCHEMBL18399563

Nc1cnn2cccc2c1-c1ccccccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
SMPD3 Q9NY59 1/20 0.40
AKT1 P31749 1/20 0.38
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
CASP3 P42574 2/20 0.37
KMT2A Q03164 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL33601 0.77 SMPD3 (0.47) MAP4K4SMPD3NPC1DRD4DRD3
Hydrochloric Acid SCHEMBL14955856 0.76 SMPD3 (0.46) MAP4K4SMPD3NPC1DRD4DRD3
Hydrochloric Acid SCHEMBL7826485 0.76 SMPD3 (0.46) MAP4K4SMPD3NPC1DRD4DRD3
SCHEMBL22018175 0.76 CAMKK1 (0.46) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL15883633 0.73 MAP4K4 (0.47) MAP4K4SMPD3NPC1DRD4DRD3
SCHEMBL18160954 0.71 CAMKK1 (0.50) NPC1MEN1KMT2ADRD4DRD3
SCHEMBL22018172 0.69 IDO1 (0.52) NPC1KDM4EALDH1A1LMNAMAPK1
SCHEMBL14757983 0.69 CDK2 (0.41) MAP4K4MEN1KMT2AKDM4EALDH1A1
SCHEMBL14809889 0.68 AKT1 (0.46) AKT1NPC1MEN1KMT2AMAPK1
SCHEMBL22018174 0.68 ALDH1A1 (0.54) NPC1MEN1KMT2AKDM4EALDH1A1

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-10265307-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE CORPORATION (US) 2019-04-23 US disclosed
US-20180193323-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2018-07-12 US disclosed
US-9550765-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-01-24 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-10265307-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors PIM2, PIM1, PIM3 MAP4K4 54/4885SMPD3 3307/4885AKT1 840/4885
US-20180193323-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 MAP4K4 54/4885SMPD3 3307/4885AKT1 840/4885

“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.