SCHEMBL525151

SCHEMBL525151

COc1c(Br)cc(Br)c(C)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
NQO2 P16083 1/20 0.38
HSD17B10 Q99714 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TPMT P51580 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CA1 P00915 1/20 0.34
CA6 P23280 1/20 0.34
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.33
IMPDH2 P12268 1/20 0.33
TTR P02766 1/20 0.33
INSR P06213 1/20 0.33

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
SCHEMBL27628234 0.85 CA2 (0.39) CA2CA4NQO2HSD17B10ALOX5AP
SCHEMBL524143 0.79 CA2 (0.56) CA2CA4NQO2HSD17B10TPMT
SCHEMBL14507727 0.79 CA2 (0.61) CA2CA4NQO2HSD17B10TPMT
SCHEMBL31026375 0.78 TSHR (0.31) CA2NQO2TSHRCA1
SCHEMBL9635966 0.77 CA2 (0.60) CA2CA4NQO2HSD17B10TPMT
SCHEMBL29726739 0.77 CA2 (0.60) CA2CA4NQO2HSD17B10TPMT
SCHEMBL548051 0.77 CA2 (0.54) CA2CA4NQO2HSD17B10TPMT
SCHEMBL22341925 0.77 CA2 (0.39) CA2CA4NQO2HSD17B10ALOX5AP
SCHEMBL27628106 0.77 CA2 (0.43) CA2CA4NQO2HSD17B10ALOX5AP
SCHEMBL31107056 0.77 CA2 (0.52) CA2CA4NQO2HSD17B10ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
WO-2020237806-A1 PREPARATION METHOD FOR 4-FLUORINE-3-METHOXYL-5-METHYLANILINE HYDROCHLORIDE 爱斯特(成都)生物制药股份有限公司 2020-12-03 WO disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 US disclosed
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-11-19 US disclosed
US-RE47396-E1 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. 2018-07-26 US disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-8343954-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-02 US disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 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-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-20120028923-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-10479783-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-20130090310-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885
US-20180208594-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 CA2 4248/4885CA4 4360/4885NQO2 760/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4272/4885CA4 4730/4885NQO2 1782/4885

“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.