SCHEMBL2780927

SCHEMBL2780927

NC(N)=Nc1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.54
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
PLG P00747 2/20 0.42
HTR3E A5X5Y0 4/20 0.41
HTR3B O95264 4/20 0.41
HTR3A P46098 4/20 0.41
HTR3D Q70Z44 4/20 0.41
HTR3C Q8WXA8 4/20 0.41
SLC22A2 O15244 2/20 0.40
SLC22A1 O15245 2/20 0.40
SLC22A3 O75751 2/20 0.40
POLB P06746 1/20 0.39
RAD52 P43351 2/20 0.38
MPO P05164 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8932389 0.72 ADRA2A (0.33) PLAUADRA2AADRA2BADRA2CHSP90AA1
SCHEMBL2226462 0.70 ADRA2A (1.00) PLAUADRA2AADRA2BADRA2C
SCHEMBL6156050 0.69 CES2 (0.39) PLAUADRA2AADRA2BADRA2CALDH1A1
SCHEMBL29919450 0.65 HDAC8 (0.39) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL2469365 0.65 HDAC8 (0.39) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL1352941 0.65 HSP90AA1 (0.39) PLAUPOLBMEN1ALDH1A1MAPT
SCHEMBL5749289 0.65 ADRA2A (0.33) PLAUADRA2AADRA2BADRA2CHSP90AA1
SCHEMBL12696326 0.63 ADRA2A (0.40) PLAUADRA2AADRA2BADRA2CMAPT
SCHEMBL1029555 0.63
SCHEMBL9601119 0.62

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E PLAU 3291/4885ADRA2A 78/4885ADRA2B 67/4885

“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.