SCHEMBL18740013

SCHEMBL18740013

COC(=O)c1c(C(F)(F)F)nn2c1N(c1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD2 Q8N5K1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CFTR P13569 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 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
SCHEMBL18740351 0.93 NOX4 (0.39) CISD2MEN1KMT2ACFTRNOX4
SCHEMBL18758616 0.90 BRD4 (0.42) ALDH1A1POLBGAAMAPTCCR1
SCHEMBL18740275 0.87 LMNA (0.46) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL18740127 0.85 NOTUM (0.39) MEN1KMT2AMAPTHDAC1CCR1
SCHEMBL18740128 0.83 CYP1A2 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL18758566 0.83 PTGER4 (0.42) ALDH1A1
SCHEMBL18739965 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EHDAC1
SCHEMBL18739970 0.79 NOX4 (0.37) MEN1KMT2ANOX4ALDH1A1HDAC1
SCHEMBL18758538 0.77 PDE2A (0.43) ALDH1A1
SCHEMBL18740168 0.77 KDM4E (0.41) MEN1KMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434246-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-09-06 — — US disclosed
EP-3362454-B1 EP4 ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2021-12-08 — — EP disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 — — US disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 — — US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 — — US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
US-20180305362-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-25 — — US disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 — — EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — WO disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — 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 (6 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-11434246-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885
US-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CISD2 2847/4885MEN1 1667/4885KMT2A 3284/4885

“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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