SCHEMBL589064

SCHEMBL589064

Cc1nc(C(C)N)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.35
PDE2A O00408 2/20 0.32
ADRB2 P07550 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2B P41595 1/20 0.31
GPR65 Q8IYL9 1/20 0.31
PDE10A Q9Y233 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
RXRA P19793 1/20 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
SCHEMBL12190549 0.83 PDE2A (0.40) PDE2AHTR1BHTR2BGPR65PDE10A
SCHEMBL30374033 0.79 PDE2A (0.33) PDE2AHTR2BPDE10A
SCHEMBL588457 0.79 PDE2A (0.33) PDE2AHTR2BPDE10A
SCHEMBL16414534 0.78 NOS3 (0.48)
SCHEMBL1438816 0.77 TRPV3 (0.33) IRAK4
SCHEMBL1438814 0.77 TRPV3 (0.33) IRAK4
SCHEMBL20098266 0.76 TSHR (0.31)
SCHEMBL24925837 0.75 TRPV3 (0.36) PDE2APDE10A
Hydrochloric Acid SCHEMBL21817761 0.74 DPP4 (0.33)
Hydrochloric Acid SCHEMBL21818336 0.74 DPP4 (0.33)

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-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

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 IRAK4 647/4885PDE2A 1035/4885ADRB2 3259/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 IRAK4 647/4885PDE2A 1035/4885ADRB2 3259/4885

“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.