SCHEMBL19787511

SCHEMBL19787511

ClCCc1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.32
CYP1A2 P05177 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
SCHEMBL16446289 0.85 ALDH1A1 (0.32) ALDH1A1ALOX15TSHRLMNACYP1A2
SCHEMBL16446341 0.82 LMNA (0.30) LMNA
SCHEMBL11157714 0.79 KDM4E (0.41) ALDH1A1
SCHEMBL11862558 0.77 TYMP (0.38) ALDH1A1ALOX15TSHRLMNA
SCHEMBL7981865 0.77 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR
SCHEMBL12481375 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TSHR
SCHEMBL4848080 0.75 L3MBTL1 (0.38) ALDH1A1LMNACYP1A2
SCHEMBL16511139 0.75 ALDH1A1 (0.30) ALDH1A1ALOX15TSHR
SCHEMBL16511129 0.75 ALDH1A1 (0.30) ALDH1A1ALOX15TSHR
SCHEMBL5556067 0.75 ESR1 (0.35) ALDH1A1ALOX15TSHR

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
CN-111315739-B Pyrimidine derivatives 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
CN-109415369-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
CN-109311877-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-05-28 CN disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200291032-A1 PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 US disclosed
CN-111315739-A Pyrimidine derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 US disclosed
WO-2019101984-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-05-31 WO disclosed
CN-109415369-A Fused pyrimidine derivative 豪夫迈·罗氏有限公司 2019-03-01 CN disclosed
WO-2018011164-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 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-20200291032-A1 PYRIMIDINE DERIVATIVES TYMS, DPYD, TYMP ALDH1A1 652/4885ALOX15 3464/4885TSHR 2653/4885
US-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 ALDH1A1 2365/4885ALOX15 423/4885TSHR 3323/4885
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS ALDH1A1 3005/4885ALOX15 204/4885TSHR 2509/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 ALDH1A1 3117/4885ALOX15 298/4885TSHR 2516/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 ALDH1A1 2365/4885ALOX15 423/4885TSHR 3323/4885

“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.