SCHEMBL3243496

SCHEMBL3243496

CNc1ccc(NC(=N)N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
ALDH1A1 P00352 5/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 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
SCHEMBL1996992 0.87 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL10495584 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CALDH1A1CA12
SCHEMBL166139 0.81 KIF11 (0.55) CYP3A4KIF11MAPTKMT2ANPC1
SCHEMBL399197 0.80 KIF11 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
Ammonia Solution, Strong SCHEMBL27512976 0.79 KIF11 (0.53) CYP3A4KIF11MAPTKMT2ANPC1
SCHEMBL1743186 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CF2PRSS1
Hydrochloric Acid SCHEMBL5478555 0.79 KIF11 (0.53) CYP3A4KIF11KMT2ANPC1
SCHEMBL20714982 0.79 CYP1A2 (0.43) ALDH1A1HSD17B10TSHRKMT2A
SCHEMBL20057532 0.79 ALDH1A1 (0.60) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6880468 0.78 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 US disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 US disclosed
US-20210086165-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2021-03-25 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
US-20100160332-A1 a2-Adrenoceptor Ligands THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2010-06-24 US disclosed
CN-1160398-A Compositions and methods for treating mast-cell inflammatory condition ARRIS PHARM CORP (US) 1997-09-24 CN 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-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand MSR1, RXRA, MLX ADRA2A 2088/4885ADRA2B 2695/4885ADRA2C 2310/4885
US-20100160332-A1 a2-Adrenoceptor Ligands ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 5/4885ADRA2C 3/4885
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND MSR1, RXRA, MLX ADRA2A 2088/4885ADRA2B 2695/4885ADRA2C 2310/4885

“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.