SCHEMBL21854599

SCHEMBL21854599

O=Cc1cc(B(O)O)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
KDM4E B2RXH2 1/20 0.44
TRPV6 Q9H1D0 2/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
CES2 O00748 1/20 0.35
RPS6KA3 P51812 1/20 0.35
JAK3 P52333 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KIF11 P52732 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL29700460 1.00 MGLL (0.47) MGLLKDM4ETRPV6ORAI1ORAI2
SCHEMBL24518216 0.93 MGLL (0.42) MGLLKDM4ETRPV6ORAI1ORAI2
SCHEMBL13228709 0.81 MGLL (0.47) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1619086 0.80 KDM4E (0.58) KDM4E
SCHEMBL11380285 0.80 KDM4E (0.58) KDM4E
SCHEMBL6856533 0.80 CES2 (0.41) CES2RPS6KA3JAK3KIF11CYP1A2
SCHEMBL126169 0.80 MGLL (0.61) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL66819 0.80 CES2 (0.46) CES2RPS6KA3JAK3KIF11CYP1A2
SCHEMBL16164272 0.80 MGLL (0.61) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL28896242 0.78 MGLL (0.59) MGLLTRPV6ORAI1ORAI2ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 EP disclosed
US-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 US disclosed
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
US-11427591-B2 Kinase inhibitors INSILICO MEDICINE IP LIMITED (HK) 2022-08-30 US disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
WO-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 US disclosed
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 EP disclosed
WO-2021038419-A1 KINASE INHIBITORS AND METHODS OF SYNTHESIS AND TREATMENT INSILICO MEDICINE IP LIMITED (CN) 2021-03-04 WO disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 US disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 US disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 WO disclosed
WO-2020079652-A1 KINASE INHIBITORS Insilico Medicine Hong Kong Limited (CN) 2020-04-23 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 (5 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-11427591-B2 Kinase inhibitors DDR1, DDR2, DDRGK1 MGLL 4799/4885KDM4E 811/4885TRPV6 4114/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 MGLL 2748/4885KDM4E 1975/4885TRPV6 1237/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 MGLL 2748/4885KDM4E 1975/4885TRPV6 1237/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF MGLL 3442/4885KDM4E 1910/4885TRPV6 3713/4885
US-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 MGLL 4799/4885KDM4E 811/4885TRPV6 4114/4885

“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.