Sugi Predict

Sugi Predict / Compounds / SCHEMBL1622589

SCHEMBL1622589

SCHEMBL1622589

CCOC(=O)N1CCc2nc(Cc3ccccc3)nc(NCc3cnn(C)c3)c2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.51
▸ JAK1 P23458 6/20 0.51
▸ JAK2 O60674 5/20 0.51
▸ TYK2 P29597 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PPP1CA P62136 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
SCHEMBL1622883 0.79 HTR2C (0.65) JAK3JAK1JAK2HTR2CVCP
SCHEMBL1623434 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL1623000 0.77 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2HTR2CKMT2AMEN1
SCHEMBL1622590 0.76 HTR2C (0.42) ALDH1A1HTR2CKMT2AMEN1NPSR1
SCHEMBL1623024 0.75 MEN1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL1622562 0.70 HTR2C (0.59) ALDH1A1SMN1; SMN2HTR2CKMT2AMEN1
SCHEMBL1623304 0.70 MEN1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL11835476 0.66 KMT2A (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL1623597 0.65 KDM4E (0.42) ALDH1A1SMN1; SMN2HTR2CKMT2AMEN1
Hydrochloric Acid SCHEMBL11835471 0.65 KMT2A (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10

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 7 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
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 JAK3 284/4885JAK1 337/4885JAK2 224/4885

“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.