SCHEMBL10039710

SCHEMBL10039710

O=Cc1cc2c(cc1F)OCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.52
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNH2 Q12809 1/20 0.34
PRKCI P41743 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL29588108 0.93 ERN1 (0.52) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL24469645 0.93 ERN1 (0.52) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL909951 0.81 LMNA (0.42) ERN1NPC1MAPTRAB9A
SCHEMBL17822053 0.80 ERN1 (0.49) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL30311078 0.79 ERN1 (0.48) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL15428163 0.79 ERN1 (0.48) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL17397860 0.79 ERN1 (0.63) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL24823392 0.79 ERN1 (0.48) ERN1DYRK1ADYRK2DYRK1BCHRM2
SCHEMBL18106768 0.77 MEN1 (0.42) ERN1KCNH2NPC1MAPTRAB9A
SCHEMBL16785317 0.77 MEN1 (0.42) ERN1KCNH2NPC1MAPTRAB9A

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
CN-113185452-A Urea derivatives or pharmaceutically acceptable salts thereof 杏林制药株式会社 2021-07-30 CN disclosed
CN-107849049-B Urea derivatives or pharmaceutically acceptable salts thereof 杏林制药株式会社 2021-03-16 CN disclosed
EP-3331884-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-06-17 EP disclosed
US-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 US disclosed
EP-3331884-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2018-06-13 EP disclosed
WO-2016189876-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 WO disclosed
WO-2012019430-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 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 (1 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-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 ERN1 857/4885DYRK1A 4293/4885DYRK2 4320/4885

“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.