Sugi Predict

Sugi Predict / Compounds / SCHEMBL5168400

SCHEMBL5168400

SCHEMBL5168400

CC(=O)N(c1c(-c2ccc(C(=O)O)o2)nc2ccc(C)cn12)C(C)(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.36
▸ PKLR P30613 3/20 0.36
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL5168404 0.86 RAB9A (0.35) PKMPKLRHPGDKDM4EHSD17B10
SCHEMBL5168360 0.86 RAB9A (0.36) PKMHPGDKDM4EHSD17B10CYP3A4
SCHEMBL5165680 0.82 CREBBP (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5164549 0.82 GABRA1 (0.50) HPGDKDM4EHSD17B10GABRA1GABRB2
SCHEMBL5169195 0.81 KDM4E (0.34) KDM4EHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5167449 0.80 ALDH1A1 (0.37) HPGDKDM4EHSD17B10LMNACYP3A4
SCHEMBL5165554 0.76 GAA (0.46) PKMPKLRHPGDKDM4EHSD17B10
SCHEMBL5169244 0.75 GAA (0.42) PKMHPGDKDM4EHSD17B10CYP3A4
SCHEMBL5167458 0.72 PKM (0.38) PKMPKLRHPGDKDM4EHSD17B10
SCHEMBL5165500 0.70 KMT2A (0.37) PKMPKLRKDM4EHSD17B10TP53

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 PKM 571/4885PKLR 1244/4885HPGD 38/4885

“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.