SCHEMBL1748464

SCHEMBL1748464

Clc1ncnc(Cl)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RHEB Q15382 1/20 0.40
▸ TRPA1 O75762 1/20 0.40

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
SCHEMBL856284 0.87 KMT2A (0.42) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL1748605 0.79 ALDH1A1 (0.56) LTA4HKMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7293387 0.79 ENPP3 (0.47) KMT2AKDM4EMAPTRAB9ACYP1A2
SCHEMBL1415706 0.78 RHEB (0.44) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7294631 0.77 ALDH1A1 (0.46) KMT2AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL23118291 0.77 PGR (0.48) TSHRKMT2AKDM4EGLAMAPT
SCHEMBL23042295 0.76 LCK (0.45) LTA4HTSHRKMT2ASMN1; SMN2NPC1
SCHEMBL7299720 0.75 ALDH1A1 (0.46) KMT2ASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL1456728 0.75 TRPA1 (0.45) LTA4HTSHRKMT2ASMN1; SMN2NPC1
SCHEMBL1415710 0.75 KMT2A (0.39) LTA4HTSHRKMT2AKDM4EGLA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2021-03-18 — — US disclosed
US-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 — — US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 — — US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 — — US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 — — US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 — — EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 — — US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 — — US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 — — US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 — — US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 — — US disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 — — EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — US disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — US disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — US disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — WO disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 — — EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 — — US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 — — EP 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 (4 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-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R LTA4H 1706/4885TSHR 51/4885KMT2A 4536/4885
US-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R LTA4H 36/4885TSHR 84/4885KMT2A 2952/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R LTA4H 1706/4885TSHR 51/4885KMT2A 4536/4885
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R LTA4H 36/4885TSHR 84/4885KMT2A 2952/4885

“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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