Sugi Predict

Sugi Predict / Compounds / SCHEMBL1622308

SCHEMBL1622308

SCHEMBL1622308

COc1nc(Cc2ccccc2)nc2c1CCN(Cc1ccccc1)CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.64
▸ C5AR1 P21730 1/20 0.63
▸ SIGMAR1 Q99720 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CLPP Q16740 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL1621143 0.85 C5AR1 (0.47) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1622367 0.83 MEN1 (0.48) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1623121 0.83 KMT2A (0.49) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1623057 0.80 LMNA (0.52) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1622745 0.79 SIGMAR1 (0.52) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1622463 0.79 C5AR1 (0.42) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1620484 0.78 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL14660387 0.78 C5AR1 (1.00) C5AR1MEN1KMT2ACLPPNPC1
SCHEMBL20974778 0.78 C5AR1 (0.86) HTR2CC5AR1SIGMAR1MEN1KMT2A
SCHEMBL1622535 0.77 HTR2A (0.50) HTR2CC5AR1SIGMAR1MEN1KMT2A

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 9 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
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 — — EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — WO disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 — — 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A HTR2C 1/4885C5AR1 377/4885SIGMAR1 255/4885

“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.