SCHEMBL17657914

SCHEMBL17657914

Cn1c(C=O)c(Br)c2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 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
SCHEMBL29952236 0.81 ALDH1A1 (0.50) KDM4EHCRTR1HTTTDP1L3MBTL1
SCHEMBL19700082 0.81 PTGER4 (0.47) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL14222649 0.78 ALDH1A1 (0.50) PTGER4MAPTKDM4ENPSR1HTT
SCHEMBL14222653 0.76 L3MBTL1 (0.54) MAPTKDM4ENPSR1HTTSMN1; SMN2
SCHEMBL17718403 0.76 TDP1 (0.50) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL8505144 0.73 PTGER4 (0.49) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL29878719 0.73 PTGER4 (0.49) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL1921296 0.72 KDM4E (0.53) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL7603554 0.72 RAB9A (0.52) PTGER4MAPTKDM4EHCRTR1CASP1
SCHEMBL21978677 0.71 RAB9A (0.41) MAPTKDM4EHCRTR1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2017-12-28 — — US disclosed
WO-2017214269-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2017-12-14 — — WO disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 — — US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 — — US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 — — US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 — — US disclosed
WO-2016054491-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2016-04-07 — — 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-20170369511-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGER4 2114/4885MAPT 1605/4885KDM4E 3893/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGER4 2114/4885MAPT 1605/4885KDM4E 3893/4885

“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.

Send feedback