SCHEMBL7709098

SCHEMBL7709098

CC(C)C(C)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 1/20 0.33
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 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
SCHEMBL14383723 1.00 HTR2A (0.37) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL21164180 0.82 ALDH1A1 (0.45) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL24744131 0.80 ALDH1A1 (0.50) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL23902118 0.77
SCHEMBL24882571 0.77 DNM1 (0.38) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL25978414 0.77 HTR2A (0.34) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL25604411 0.76 TDP1 (0.39) TDP1CA12CA2CA3CA4
SCHEMBL23846278 0.75 HTR2A (0.37) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL12259439 0.75 HTR2A (0.37) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL24121393 0.75 PIK3CD (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 US disclosed
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-14 US disclosed
WO-2011136192-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-11-03 WO disclosed
WO-2008080938-A1 USE 2-SUBSTITUTED PYRIDINES FOR CANCER TREATMENT BASF SE (DE) 2008-07-10 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-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof JAK2, JAK1, JAK3 HTR2A 4677/4885HRH1 2052/4885ALDH1A1 819/4885
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 HTR2A 4677/4885HRH1 2052/4885ALDH1A1 819/4885

“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.