SCHEMBL22104649

SCHEMBL22104649

CC(C)Cc1cc2n(n1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTR2C P28335 5/20 0.38
HTR2B P41595 3/20 0.38
SOD3 P08294 1/20 0.34
HTR2A P28223 3/20 0.32
PARP1 P09874 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL13455832 0.82 PDCD1 (0.44) PDCD1CD274HTR2CHTR2BSOD3
SCHEMBL3548738 0.79 PDCD1 (0.44) PDCD1CD274HTR2CSOD3HTR2A
SCHEMBL14925553 0.77 PDCD1 (0.45) PDCD1CD274HTR2CHTR2BSOD3
SCHEMBL16682646 0.76 PDCD1 (0.48) PDCD1CD274HTR2CHTR2BHTR2A
SCHEMBL24873410 0.74
SCHEMBL23109989 0.74 PDCD1 (0.40) PDCD1CD274HTR2CHTR2BSOD3
SCHEMBL25085448 0.73 PDCD1 (0.42) PDCD1CD274HTR2CSOD3HTR2A
SCHEMBL24253264 0.73 CSF1R (0.33) PARP1TLR7HRH4
SCHEMBL25632996 0.73 LRRK2 (0.34) PARP1TLR7ALDH1A1
SCHEMBL14930383 0.73 PDCD1 (0.50) PDCD1CD274HTR2CHTR2BSOD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US 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-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PDCD1 3525/4885CD274 2589/4885HTR2C 322/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB PDCD1 3525/4885CD274 2589/4885HTR2C 322/4885

“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.