SCHEMBL8978987

SCHEMBL8978987

CCN(NC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM1A O60341 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
NR3C2 P08235 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL9004382 0.82 TP53 (0.40) ALDH1A1TSHRGLAL3MBTL1LMNA
SCHEMBL7982311 0.79 ALDH1A1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL29137131 0.79 ALDH1A1 (0.48) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL27966901 0.79 TDP1 (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
Diethylaniline SCHEMBL8942278 0.78 TSHR (0.61) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL9004377 0.77 AOC3 (0.40) ALDH1A1KDM4EL3MBTL1LMNASLC6A2
SCHEMBL21851005 0.77 CRHBP (0.49) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7036650 0.77 CRHBP (0.49) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL8649205 0.76 TSHR (0.39) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL9545457 0.74 ALDH1A1 (0.52) ALDH1A1TSHRGLAMEN1KMT2A

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-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US disclosed
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD ALDH1A1 467/4885TSHR 615/4885GLA 3987/4885

“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.