SCHEMBL5168630

SCHEMBL5168630

CC(=O)N(c1c(-c2cccs2)nc2cc(C)ccn12)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 6/20 0.56
GAA P10253 6/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 3/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 3/20 0.48
POLB P06746 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5166991 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL5166037 0.82 LMNA (0.45) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5164712 0.81 MAPT (0.44) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5165767 0.81 GAA (0.56) ALDH1A1GAAMAPTRAB9AMAPK1
SCHEMBL5164734 0.80 GAA (0.46) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5165861 0.79 ATM (0.41) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL6748606 0.77 MGLL (0.38) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5166774 0.75 SLC2A1 (0.35) ALDH1A1GAAMAPTRAB9AMAPK1
SCHEMBL5168043 0.74 RAB9A (0.35) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5165984 0.74 ALDH1A1 (0.96) ALDH1A1KDM4EGAAMAPTRAB9A

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 ALDH1A1 3066/4885KDM4E 3834/4885GAA 536/4885

“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.