SCHEMBL1925508

SCHEMBL1925508

CSc1ccc(-c2cc(CN3CCN(C)CC3)c(=O)n(CC(C)C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR7 P34969 1/20 0.33
CHKA P35790 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MOK Q9UQ07 1/20 0.32

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
Hydrochloric Acid SCHEMBL1925612 0.99 HTR6 (0.35) HTR6SMN1; SMN2ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL1926194 0.88 LMNA (0.34) SMN1; SMN2ATMMEN1KMT2AKDM4E
SCHEMBL1927209 0.87 CHKA (0.43) MEN1KMT2AALDH1A1CHRNA7HTR7
SCHEMBL1926131 0.87 ADORA2A (0.41) MEN1KMT2AKDM4EALDH1A1CHRNA7
Hydrochloric Acid SCHEMBL1924591 0.86 CHKA (0.42) MEN1KMT2AALDH1A1HTR7CHKA
Hydrochloric Acid SCHEMBL1925118 0.86 ADORA2A (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL1925632 0.84 HTR6 (0.35) HTR6SMN1; SMN2ATMMEN1KMT2A
SCHEMBL1924611 0.84 JAK2 (0.40) HTR6MAP4K1
SCHEMBL1927061 0.84 CHKA (0.45) HTR6KDM4EALDH1A1POLBMAP4K1
SCHEMBL1926277 0.84 HTR6 (0.38) HTR6ALDH1A1CHKAMOK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431293-B1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2011-06-08 EP disclosed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-7087606-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 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 (3 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 HTR6 2761/4885SMN1; SMN2 3094/4885ATM 2218/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 HTR6 1885/4885SMN1; SMN2 4730/4885ATM 4443/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 HTR6 1603/4885SMN1; SMN2 4777/4885ATM 4265/4885

“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.