SCHEMBL23716163

SCHEMBL23716163

CC(C)N1Cc2cccc(c2O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GABRA1 P14867 3/20 0.38
TSHR P16473 3/20 0.38
GABRB2 P47870 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 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
SCHEMBL1101990 0.81 MEN1 (0.55) HRH3KCNH2MEN1KMT2ATSHR
SCHEMBL8025852 0.77 CYP3A4 (0.41) HRH3KCNH2MEN1KMT2ATSHR
SCHEMBL26192019 0.76 MEN1 (0.50) HRH3KCNH2MEN1KMT2ATSHR
SCHEMBL1615567 0.76 KMT2A (0.46) HRH3KCNH2MEN1KMT2ALMNA
SCHEMBL23711841 0.75 GABRA1 (0.40) HRH3KCNH2MEN1KMT2AGABRA1
SCHEMBL15449628 0.74 KIF11 (0.42) HRH3KCNH2MEN1KMT2AHPGD
SCHEMBL10383092 0.73 TMEM97 (0.37) HRH3KCNH2KDM4EALDH1A1MAPT
SCHEMBL21216374 0.72 BCL2L1 (0.46) HRH3KCNH2GABRA1TSHRLMNA
SCHEMBL12367365 0.72 ADRA2A (0.44) HRH3KCNH2MEN1KMT2ATSHR
SCHEMBL13243094 0.72 KCNH2 (0.58) KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
US-20230041738-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 US disclosed
WO-2021154665-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 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-20230041738-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 HRH3 388/4885KCNH2 3706/4885MEN1 4461/4885
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 HRH3 376/4885KCNH2 3692/4885MEN1 4476/4885

“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.