SCHEMBL21434366

SCHEMBL21434366

CNc1nccc2c1c(/C=C/C(=O)O)nn2Cc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
PTGER4 P35408 2/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
LTB4R Q15722 7/20 0.37
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CCR4 P51679 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
BUB1 O43683 1/20 0.35

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
SCHEMBL31500887 0.92 JAK2 (0.39) JAK2PTGER4ALDH1A1CNR1CNR2
SCHEMBL19730136 0.92 JAK2 (0.39) JAK2PTGER4ALDH1A1CNR1CNR2
SCHEMBL3772381 0.87 CNR1 (0.41) PTGER4THRBATMLTB4RALDH1A1
SCHEMBL3771429 0.87 CNR1 (0.41) PTGER4THRBATMLTB4RALDH1A1
SCHEMBL13834301 0.84 JAK2 (0.47) JAK2LTB4RALDH1A1L3MBTL1
SCHEMBL13834302 0.84 JAK2 (0.47) JAK2LTB4RALDH1A1L3MBTL1
SCHEMBL3775383 0.80 CCR4 (0.39) JAK2PTGER4ALDH1A1CNR1CNR2
SCHEMBL3775379 0.80 CCR4 (0.39) JAK2PTGER4ALDH1A1CNR1CNR2
SCHEMBL19730012 0.79 LMNA (0.43) JAK2PTGER4ALDH1A1CNR1CNR2
SCHEMBL416412 0.78 JAK2 (0.48) JAK2ALDH1A1LMNAMAPTL3MBTL1

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
CN-109071558-B Substituted tricyclic heterocyclic compounds and uses thereof 苏州亚宝药物研发有限公司 2021-10-29 CN disclosed
US-10918645-B2 Substituted tricyclic heterocyclic compounds and use thereof LIFEARC (GB) 2021-02-16 US disclosed
US-20190307763-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS AND USE THEREOF LIFEARC (GB) 2019-10-10 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-10918645-B2 Substituted tricyclic heterocyclic compounds and use thereof MAPT, TTBK1, TNK2 JAK2 1723/4885PTGER4 2738/4885THRB 951/4885
US-20190307763-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS AND USE THEREOF MAPT, NNMT, TKFC JAK2 1422/4885PTGER4 2403/4885THRB 855/4885

“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.