SCHEMBL20917798

SCHEMBL20917798

FC(F)(F)c1ccc(CCN2CN=C(SCc3ccc(Br)cc3CSC3=NCN(CCc4ccc(C(F)(F)F)cc4)CN3)NC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ GPR183 P32249 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL20932351 0.89 DAO (0.40) SLC6A4DAOALDH1A1CYP2C19PTGER1
SCHEMBL22275610 0.89 PPARD (0.38) GPR84DAOSCN9AALDH1A1CYP2C19
SCHEMBL20932763 0.87 MAPT (0.41) GPR84DAOSCN9AALDH1A1CYP2C19
SCHEMBL22262985 0.87 GPR84 (0.38) GPR84DAOSCN9AALDH1A1CYP2C19
SCHEMBL20932242 0.84 SIGMAR1 (0.41) SLC6A4DAOCYP2C19CYP1A2CYP2D6
SCHEMBL20920181 0.83 CYP1A2 (0.44) TSHRCYP1A2CYP2D6
SCHEMBL22275787 0.82 CYP1A2 (0.42) SLC6A4TSHRCYP1A2CYP2D6
SCHEMBL20917919 0.82 ALDH1A1 (0.44) GPR84ALDH1A1CYP2C19MAPTTSHR
SCHEMBL20917797 0.81 MAPT (0.47) GPR84DAOSCN9AALDH1A1CYP2C19
SCHEMBL20920201 0.78 KDM4E (0.41) ALDH1A1MAPTTSHRCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092020-A1 IDO/TDO Inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-03-20 — — US disclosed
US-12209079-B2 IDO/TDO inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-01-28 — — US disclosed
US-20220380305-A1 IDO/TDO Inhibitor CANBAS CO., LTD. 2022-12-01 — — US disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
WO-2019078246-A1 IDO/TDO INHIBITOR 一般社団法人ファルマバレープロジェクト支援機構 2019-04-25 — — 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 (4 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-12209079-B2 IDO/TDO inhibitor IDO1, IDO2, TDO2 SLC6A4 670/4885GPR84 3307/4885DAO 9/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 SLC6A4 670/4885GPR84 3307/4885DAO 9/4885
US-20250092020-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 SLC6A4 670/4885GPR84 3307/4885DAO 9/4885
US-20220380305-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 SLC6A4 709/4885GPR84 3026/4885DAO 14/4885

“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.

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