Sugi Predict

Sugi Predict / Compounds / SCHEMBL5167216

SCHEMBL5167216

SCHEMBL5167216

CC(=O)N(c1c(-c2ccccc2C(F)(F)F)nc2ccccn12)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL5166045 0.81 MAPK13 (0.44) KMT2AKDM4EALDH1A1HPGDHSP90AA1
SCHEMBL5167737 0.79 MAPK13 (0.47) KMT2AKDM4EALDH1A1HPGD
SCHEMBL6752006 0.79 KMT2A (0.39) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL6750698 0.76 RPS6KB2 (0.42) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL5166367 0.76 GAA (0.56) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL5169187 0.75 GAA (0.43) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL5167941 0.72 PKM (0.39) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL1982718 0.72 GAA (0.58) KDM4EALDH1A1HPGDNTRK1PTGS2
SCHEMBL5166912 0.71 MAPT (0.43) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL5165861 0.69 ATM (0.41) KDM4EALDH1A1HSP90AA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 — — US claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 — — EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 — — EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 — — 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 (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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 HSD17B10 2410/4885KMT2A 2977/4885KDM4E 3834/4885

“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.