SCHEMBL19030561

SCHEMBL19030561

CC1(C(F)(F)F)Cc2ccc(Cl)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.38
▸ CYP46A1 Q9Y6A2 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ ALPG P10696 2/20 0.34
▸ HTR2C P28335 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PNMT P11086 3/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL19029897 0.78 MAOB (0.39) KDM4EMAPTALDH1A1HTR2CHTR2A
SCHEMBL19030182 0.72 MAP3K14 (0.41) HTR2CHTR2AMAP3K14AHR
SCHEMBL19030772 0.72 MAP3K14 (0.43) ALPGHTR2CHTR2AMAP3K14AHR
SCHEMBL19045077 0.72 IRAK4 (0.36) —
SCHEMBL19030794 0.70 CYP1A2 (0.38) LMNAMAPTALDH1A1ALOX15L3MBTL1
SCHEMBL19030472 0.70 AKR1B1 (0.42) MAPK1PPARG
SCHEMBL19030554 0.70 MAP3K14 (0.33) LMNAHSD17B10MAPTALDH1A1HTR2C
SCHEMBL18474240 0.69 AKR1B1 (0.36) HTR2CHTR2APDE3A
SCHEMBL23422992 0.68 KDM1A (0.40) MAPTHTR2CHTR2AMAP3K14AHR
SCHEMBL18469509 0.67 KDM4E (0.33) KDM4EALDH1A1HTR2CGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US disclosed
CN-108473498-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 — — CN disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 PDK2 612/4885CYP46A1 2389/4885KDM4E 463/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 PDK2 540/4885CYP46A1 2231/4885KDM4E 662/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 PDK2 612/4885CYP46A1 2389/4885KDM4E 463/4885

“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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