SCHEMBL2471283

SCHEMBL2471283

Cc1ccc(NCc2ncc[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.70
KLK1 P06870 1/20 0.60
KLK5 Q9Y337 1/20 0.60
BRD4 O60885 1/20 0.47
PTH1R Q03431 1/20 0.45
ALDH1A1 P00352 3/20 0.45
FPR2 P25090 1/20 0.44
HTT P42858 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2469427 0.83 TAAR1 (0.70) TAAR1KLK1KLK5ALDH1A1FPR2
SCHEMBL6298733 0.83 TAAR1 (0.70) TAAR1KLK1KLK5BRD4PTH1R
SCHEMBL4776719 0.83 TAAR1 (0.70) TAAR1KLK1KLK5BRD4ALDH1A1
SCHEMBL2466732 0.83 TAAR1 (0.70) TAAR1KLK1KLK5BRD4PTH1R
SCHEMBL2472567 0.83 TAAR1 (0.70) TAAR1KLK1KLK5BRD4ALDH1A1
SCHEMBL3166154 0.82 TAAR1 (1.00) TAAR1KLK1KLK5ALDH1A1FPR2
SCHEMBL2470672 0.82 TAAR1 (0.64) TAAR1KLK1KLK5ALDH1A1FPR2
Hydrochloric Acid SCHEMBL6304644 0.81 TAAR1 (0.68) TAAR1KLK1KLK5BRD4PTH1R
SCHEMBL27543823 0.80 TAAR1 (0.66) TAAR1KLK1KLK5BRD4PTH1R
SCHEMBL4776175 0.79 TAAR1 (0.70) TAAR1KLK1KLK5BRD4PTH1R

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
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 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-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR TAAR1 4184/4885KLK1 2976/4885KLK5 3133/4885

“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.