SCHEMBL4841354

SCHEMBL4841354

Cc1ccc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
TRPV6 Q9H1D0 2/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.40
PDE2A O00408 4/20 0.39
KIF11 P52732 1/20 0.38
NOTUM Q6P988 1/20 0.37
CES2 O00748 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29427029 1.00 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29952604 0.85 MGLL (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL581357 0.85 MGLL (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1396618 0.83 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL23191274 0.81 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL319539 0.79 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29525163 0.79 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29689581 0.79 CES2 (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29955080 0.79 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1094432 0.79 MGLL (0.48) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-09-19 US disclosed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP disclosed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
US-20230000833-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 US disclosed
WO-2022047230-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. (US) 2022-03-03 WO disclosed
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-28 US disclosed
US-20210069155-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-11 US disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
US-9604937-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-03-28 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
EP-2925744-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2015-10-07 EP disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 WO disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (9 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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS HCAR2, PAH, PTGES2 MGLL 2490/4885TRPV6 682/4885ORAI1 3279/4885
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer DPYD, MTHFD1, TYMS MGLL 4273/4885TRPV6 4136/4885ORAI1 4364/4885
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C MGLL 4717/4885TRPV6 1068/4885ORAI1 2507/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 MGLL 599/4885TRPV6 2192/4885ORAI1 1719/4885
US-20230000833-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MGLL 4717/4885TRPV6 1068/4885ORAI1 2507/4885
US-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C MGLL 4717/4885TRPV6 1068/4885ORAI1 2507/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A MGLL 1804/4885TRPV6 4597/4885ORAI1 4707/4885
US-20210069155-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MGLL 4717/4885TRPV6 1068/4885ORAI1 2507/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C MGLL 4717/4885TRPV6 1068/4885ORAI1 2507/4885

“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.