Sugi Predict

Sugi Predict / Compounds / SCHEMBL1623255

SCHEMBL1623255

SCHEMBL1623255

CC(c1ccccc1)c1nc2c(c(OS(=O)(=O)C(F)(F)F)n1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.38
▸ SKP1 P63208 2/20 0.38
▸ SKP2 Q13309 2/20 0.38
▸ STS P08842 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ GRM1 Q13255 1/20 0.34

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
SCHEMBL3736686 0.90 HTR2C (0.37) HTR2CHTR2B
SCHEMBL1623132 0.81 CKS1B (0.37) CKS1BSKP1SKP2STSGPR119
SCHEMBL1621294 0.81 RORC (0.38) CKS1BSKP1SKP2STSGPR119
SCHEMBL1620370 0.81 HTR2C (0.55) CKS1BSKP1SKP2STSTSHR
SCHEMBL1621255 0.81 STS (0.42) CKS1BSKP1SKP2STSGPR119
SCHEMBL1621232 0.81 OPRD1 (0.42) CKS1BSKP1SKP2STSTSHR
SCHEMBL12719890 0.78 JAK2 (0.40) STSGPR119
SCHEMBL4192572 0.78 CCNA2 (0.39) STSGPR119PARP1TNKS2PARP2
SCHEMBL1622919 0.76 MAPT (0.49) CKS1BSKP1SKP2TSHRALOX15
SCHEMBL194527 0.76 PDE10A (0.40) STSGPR119PARP1TNKS2PARP2

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 8 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

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 CKS1B 1899/4885SKP1 3098/4885SKP2 2207/4885

“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.