SCHEMBL359023

SCHEMBL359023

CC(C)Oc1ccc(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP3A4 P08684 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CSNK2A1 P68400 2/20 0.47
▸ TSHR P16473 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 2/20 0.45

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
SCHEMBL2372933 0.84 CYP3A4 (0.46) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL10437722 0.82 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL12505439 0.80 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL29958589 0.80 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL3875281 0.79 POLB (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL7172382 0.79 CSNK2A1 (0.59) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
Hydrazine SCHEMBL28002964 0.78 CSNK2A1 (0.62) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16372665 0.78 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1CYP3A4L3MBTL1CSNK2A1
SCHEMBL8414849 0.78 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1CSNK2A1
SCHEMBL254820 0.78 TSHR (0.64) MAPTSMN1; SMN2CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP claimed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 — — WO disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 — — US disclosed
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 — — US disclosed
EP-2852593-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 — — EP disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US disclosed
WO-2013174743-A1 SUBSTITUTED PYRROLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 — — WO disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
CN-102985426-A Pyrazolo [1, 5A ] pyrimidine and thieno [3, 2B ] pyrimidine derivatives as IRAK4 modulators HOFFMANN LA ROCHE 2013-03-20 — — CN disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — 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 (8 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885SMN1; SMN2 1363/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885SMN1; SMN2 1363/4885ALDH1A1 2519/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MAPT 3591/4885SMN1; SMN2 3977/4885ALDH1A1 4296/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 MAPT 1941/4885SMN1; SMN2 1363/4885ALDH1A1 2519/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG MAPT 3533/4885SMN1; SMN2 3922/4885ALDH1A1 4076/4885
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES DPYD, VEGFA, FLT1 MAPT 2679/4885SMN1; SMN2 1055/4885ALDH1A1 839/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885SMN1; SMN2 1363/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 MAPT 1941/4885SMN1; SMN2 1363/4885ALDH1A1 2519/4885

“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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