SCHEMBL5090716

SCHEMBL5090716

NCc1ccnc2ncnn12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 7/20 0.47
RCE1 Q9Y256 1/20 0.47
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
EGLN2 Q96KS0 7/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL8125129 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL5617361 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL6468861 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL22911107 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL25101338 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL25061625 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL854288 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL1650004 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
Hydrochloric Acid SCHEMBL31049672 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL10406955 0.71 ALDH1A1 (0.50) ALDH1A1KDM4ERCE1GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US claimed
US-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US disclosed
US-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US disclosed
US-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 US disclosed
CN-101065383-A 7-aminomethyl-1,2,4-triazolo[1,5-a]pyrimidine compounds and their use for controlling pathogenic fungi BASF AG (DE) 2007-10-31 CN disclosed
EP-1797097-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-06-20 EP disclosed
EP-1797097-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-06-20 EP disclosed
EP-1797097-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-06-20 EP disclosed
WO-2006034848-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 WO disclosed
WO-2006034848-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 WO disclosed
WO-2006034848-A1 7-AMINOMETHYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-06 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-20080076785-A1 7-Aminomethyl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds And Their Use For Controlling Pathogenic Fungi H1-0, NAT1, DPM1 ALDH1A1 2830/4885KDM4E 2385/4885RCE1 3139/4885

“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.