SCHEMBL22300397

SCHEMBL22300397

CCc1ccnc(CCCc2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
HRH1 P35367 2/20 0.50
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 2/20 0.44
NAAA Q02083 1/20 0.43
CYP2C9 P11712 1/20 0.41

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
SCHEMBL13337725 0.89 NOS3 (0.55) TDP1KDM4EPOLBTSHRHRH1
Hydrochloric Acid SCHEMBL11420925 0.87 NOS3 (0.53) TDP1KDM4EPOLBTSHRHRH1
SCHEMBL11420945 0.82 NOS3 (0.48) TDP1KDM4EPOLBTSHRLMNA
SCHEMBL2552826 0.82 NOS2 (0.52) TDP1KDM4EPOLBTSHRLMNA
SCHEMBL231470 0.81 HRH1 (0.69) TDP1HRH1HRH3HRH4ALDH1A1
SCHEMBL29485637 0.81 HRH1 (0.69) TDP1HRH1HRH3HRH4ALDH1A1
SCHEMBL24708602 0.81 HRH1 (0.51) TDP1KDM4EHRH1HRH3HRH4
SCHEMBL932822 0.81 KDM4E (0.47) TDP1KDM4EPOLBTSHRHRH1
SCHEMBL31280277 0.80 NOS3 (0.50) TDP1KDM4ETSHRALDH1A1LMNA
SCHEMBL2550616 0.80 NOS3 (0.50) TDP1KDM4ETSHRALDH1A1LMNA

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-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 TDP1 1174/4885KDM4E 3594/4885POLB 170/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 TDP1 1174/4885KDM4E 3594/4885POLB 170/4885

“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.