SCHEMBL5089702

SCHEMBL5089702

CCc1ccc(C(=O)c2cccnc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
APP P05067 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PLOD2 O00469 1/20 0.43

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
SCHEMBL5101205 0.83 PDE3B (0.53) RAB9ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL3819493 0.78 HTT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL5101193 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10829884 0.75 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL24492791 0.73 ALDH1A1 (0.51) MAP2K1ALDH1A1HTTKMT2APOLB
SCHEMBL1242243 0.73 ALDH1A1 (0.71) MAP2K1ALDH1A1GAAAPPHCAR3
SCHEMBL29915528 0.73 ALDH1A1 (0.71) MAP2K1ALDH1A1GAAAPPHCAR3
SCHEMBL7434193 0.71 PDE3B (0.70) MAP2K1NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27841975 0.71 ALDH1A1 (0.68) MAP2K1ALDH1A1GAAAPPHCAR3
SCHEMBL3826085 0.70 GSK3B (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 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 (2 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MAP2K1 2555/4885NPC1 4466/4885RAB9A 1784/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 MAP2K1 2555/4885NPC1 4466/4885RAB9A 1784/4885

“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.