SCHEMBL2998056

SCHEMBL2998056

O=Cc1ccc(C#Cc2ccc(CCc3ccccc3)nn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KCNH2 Q12809 1/20 0.35
MAOB P27338 2/20 0.35
GRM5 P41594 2/20 0.33
DHFR P00374 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAOA P21397 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CYP19A1 P11511 1/20 0.31
GLS O94925 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL3002842 0.78 MAOA (0.42) FFAR1FFAR4MAOBALDH1A1MAOA
SCHEMBL3008474 0.72 KCNH2 (0.41) KCNH2MAOBGRM5DHFRALDH1A1
SCHEMBL3006684 0.71 MAOA (0.43) FFAR1MAOBALDH1A1MAOAKDM4E
SCHEMBL3001000 0.71 MAOA (0.43) FFAR1FFAR4MAOBALDH1A1MAOA
SCHEMBL510610 0.70 LTA4H (0.43) MAOBALDH1A1MAOAKDM4ESMN1; SMN2
SCHEMBL3002659 0.68 ESR1 (0.47) FFAR1FFAR4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14369268 0.67 ALDH1A1 (0.59) FFAR1MAOBALDH1A1MAOASMN1; SMN2
SCHEMBL2226596 0.67 ALDH1A1 (0.59) FFAR1MAOBALDH1A1MAOASMN1; SMN2
SCHEMBL18810226 0.67 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3006889 0.67 KDM4E (0.40) KCNH2MAOBALDH1A1KDM4ESMN1; SMN2

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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R FFAR1 202/4885FFAR4 299/4885KCNH2 2572/4885

“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.