SCHEMBL20163348

SCHEMBL20163348

NCCOc1ncc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LTA4H P09960 2/20 0.32
PLA2G2A P14555 1/20 0.32
AKT1 P31749 2/20 0.31
CHUK O15111 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PHKG2 P15735 1/20 0.31
PRKACA P17612 1/20 0.31
CLK2 P49760 1/20 0.31
PRKX P51817 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKG2 Q13237 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 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
SCHEMBL18202620 0.79 TAAR1 (0.48) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL19732845 0.77 SYK (0.39) TAAR1KDM4ELTA4HPLA2G2ASYK
SCHEMBL31446630 0.77 TAAR1 (0.37) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL5859016 0.73 TAAR1 (0.46) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL28911874 0.72 LMNA (0.39)
SCHEMBL20173461 0.72 KDM4E (0.42) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL30150621 0.72 KDM4E (0.42) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL24272510 0.71 TAAR1 (0.50) TAAR1KDM4ELTA4HPLA2G2AAKT1
SCHEMBL16853288 0.71 HRH1 (0.41)
SCHEMBL22837834 0.71 KDM4E (0.43) KDM4EHTR1B

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-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 TAAR1 4179/4885KDM4E 2462/4885LTA4H 4278/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 TAAR1 4224/4885KDM4E 1882/4885LTA4H 4104/4885

“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.