SCHEMBL1621143

SCHEMBL1621143

Cc1nc(Cc2ccccc2)nc2c1CCN(Cc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2C P28335 6/20 0.46
HTR2B P41595 2/20 0.46
HTR2A P28223 2/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CLPP Q16740 2/20 0.42
MC4R P32245 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMO Q99835 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1622367 0.85 MEN1 (0.48) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1623121 0.85 KMT2A (0.49) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1622308 0.85 HTR2C (0.64) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1623057 0.84 LMNA (0.52) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1622745 0.81 SIGMAR1 (0.52) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1622463 0.81 C5AR1 (0.42) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1623206 0.80 CLPP (0.47) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1622535 0.79 HTR2A (0.50) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1621674 0.78 CLPP (0.48) C5AR1MEN1KMT2AHTR2CHTR2B
SCHEMBL1623084 0.78 C5AR1 (0.44) C5AR1MEN1KMT2AHTR2CHTR2B

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-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A C5AR1 377/4885MEN1 1573/4885KMT2A 1526/4885

“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.