SCHEMBL5779670

SCHEMBL5779670

NNc1ccc(-n2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
LMNA P02545 1/20 0.66
ENPP2 Q13822 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
NOTUM Q6P988 1/20 0.60
CYP3A4 P08684 5/20 0.59
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
BAZ2B Q9UIF8 1/20 0.51
HTT P42858 1/20 0.51
CYP51A1 Q16850 1/20 0.50
CYP19A1 P11511 3/20 0.49
ADH5 P11766 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP2A6 P11509 1/20 0.48
CYP2D6 P10635 2/20 0.48

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 SCHEMBL8651431 0.98 MAPT (0.63) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL2532397 0.85 LMNA (0.78) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.83 LMNA (0.75) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL30912606 0.80 LMNA (0.60) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL10574531 0.80 MAPT (0.60) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL1612214 0.80 ENPP2 (0.66) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL159406 0.79 LMNA (1.00) MAPTLMNAENPP2MKNK1MKNK2
SCHEMBL2533488 0.79 TSHR (0.84) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28420692 0.78 LMNA (0.96) MAPTLMNAENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL8339879 0.78 LMNA (0.96) MAPTLMNAENPP2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
EP-0630374-B1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-09-05 EP disclosed
US-6150391-A Diazabicyclo-octane derivatives as 5-HT receptor ligands MERCK SHARP & DOHME LTD. 2000-11-21 US disclosed
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed
US-5889008-A Substituted 1-indolylpropyl-4-phenethylpiperazadine derivatives MERCK SHARP & DOHME, LTD. (GB) 1999-03-30 US disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP disclosed
EP-0844996-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-PHENETHYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-06-03 EP disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed
WO-1997006159-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-PHENETHYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-02-20 WO disclosed
US-5510362-A VASOCONSTRUCTION MERCK, SHARP AND DOHME LIMITED (GB) 1996-04-23 US disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
EP-0630374-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-12-28 EP disclosed
WO-1993018029-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1993-09-16 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MAPT 94/4885LMNA 861/4885ENPP2 2951/4885

“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.