SCHEMBL22017127

SCHEMBL22017127

Cc1c(C(C)C2CCS2)ncc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
TRPM8 Q7Z2W7 9/20 0.32
USP30 Q70CQ3 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22017356 0.75 CYP2A6 (0.44) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL12258315 0.64 GPR3 (0.50) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL13171265 0.62 KDM4E (0.44) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL21979164 0.61 KDM4E (0.47) CYP1A2CYP2A6KDM4EGPR3TSHR
SCHEMBL2747868 0.61 KDM4E (0.47) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL12490240 0.61 KDM4E (0.47) CYP1A2CYP2A6KDM4EGPR3TSHR
SCHEMBL19044145 0.61 KDM4E (0.47) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL12527287 0.60 GPR3 (0.41) CYP1A2CYP2A6KDM4EGPR3TRPM8
SCHEMBL12145842 0.59 NPC1 (0.45) CYP1A2CYP2A6KDM4EGPR3TSHR
SCHEMBL21871920 0.59 GPR3 (0.44) CYP1A2CYP2A6KDM4EGPR3KMT2A

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CYP1A2 185/4885CYP2A6 834/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CYP1A2 185/4885CYP2A6 834/4885KDM4E 2522/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CYP1A2 185/4885CYP2A6 834/4885KDM4E 2522/4885

“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.