SCHEMBL588457

SCHEMBL588457

Cc1nc(C(C)O)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
APLNR P35414 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
TRPV3 Q8NET8 2/20 0.30

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
SCHEMBL30374033 1.00 PDE2A (0.33) PDE2APDE10AHTR2AHTR2CHTR2B
SCHEMBL12190549 0.83 PDE2A (0.40) PDE2APDE10AHTR2B
SCHEMBL589064 0.79 IRAK4 (0.35) PDE2APDE10AHTR2B
SCHEMBL24925837 0.79 TRPV3 (0.36) PDE2APDE10ATRPV3
SCHEMBL31003115 0.78 NOS3 (0.43) PDE2APDE10AHTR2AHTR2CHTR2B
SCHEMBL24742231 0.78 KEAP1 (0.32) PDE2AHTR2AHTR2CHTR2BTRPV3
SCHEMBL29987658 0.78 KEAP1 (0.32) PDE2AHTR2AHTR2CHTR2BTRPV3
SCHEMBL20098266 0.76 TSHR (0.31)
SCHEMBL24122998 0.75 RAB9A (0.35) HTR2AHTR2CHTR2BAPLNR
SCHEMBL30325993 0.75 RAB9A (0.35) HTR2AHTR2CHTR2BAPLNR

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
CN-118176185-A 2- (Aryl-2-yl) morpholine and deuterated derivative thereof, preparation method and application 上海翰森生物医药科技有限公司 2024-06-11 CN disclosed
WO-2023078392-A1 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-05-11 WO disclosed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US disclosed
CN-101238116-A Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-08-06 CN disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 WO disclosed
WO-2005044265-A1 ALKYNES III ASTRAZENECA AB (SE) 2005-05-19 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 (2 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 PDE2A 1035/4885PDE10A 1858/4885HTR2A 4279/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 PDE2A 1035/4885PDE10A 1858/4885HTR2A 4279/4885

“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.