SCHEMBL6402089

SCHEMBL6402089

Fc1[c]ccc(-c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
ESR2 Q92731 1/20 0.48
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NOTUM Q6P988 2/20 0.39
IDO1 P14902 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL7861005 0.84
SCHEMBL5967311 0.83 MAOA (0.40) TAAR1ESR2PTPN1NISCHMEN1
SCHEMBL694723 0.83 ALDH1A1 (0.41) TAAR1ESR2NOTUMKDM4EMEN1
SCHEMBL27338776 0.81 ALOX5 (0.40) TAAR1ESR2CYP3A4KDM4EMEN1
SCHEMBL23167350 0.80 ACHE (0.43) NOTUMIDO1CHRNB4CHRNA3NISCH
SCHEMBL28538724 0.80 ALOX5 (0.44) TAAR1ESR2NOTUMIDO1
SCHEMBL2429100 0.80 TAAR1 (0.46) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL2012498 0.80 TAAR1 (0.46) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL198702 0.79 TAAR1 (0.68) TAAR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL316987 0.78 TAAR1 (0.57) TAAR1ESR2CYP17A1CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US claimed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN claimed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO claimed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 WO claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 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-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 TAAR1 4069/4885ESR2 4156/4885CYP17A1 3690/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO TAAR1 2905/4885ESR2 2182/4885CYP17A1 188/4885

“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.