SCHEMBL7612902

SCHEMBL7612902

NCc1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.76
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 1/20 0.67
PKM P14618 1/20 0.67
KEAP1 Q14145 2/20 0.66
IL1RN P18510 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
HDAC1 Q13547 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
AR P10275 1/20 0.58
PGR P06401 2/20 0.57
HDAC4 P56524 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL7610798 0.93 HTR6 (0.73) HTR6KMT2AMEN1ALDH1A1PKM
Trifluoroacetic Acid SCHEMBL5307840 0.88 HTR6 (0.61) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL5830405 0.86 HTR6 (1.00) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL810795 0.84 KMT2A (0.91) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL8795265 0.83 HTR6 (0.82) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL17487878 0.83 CES1 (0.73) HTR6ALDH1A1ARPGRMAPT
SCHEMBL27522641 0.83 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL2822371 0.82 MEN1 (0.67) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL13185624 0.82 UCHL1 (0.75) HTR6KMT2AMEN1ALDH1A1PKM
SCHEMBL8867847 0.81 HTR6 (0.73) HTR6KMT2AMEN1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP disclosed
CN-109311882-A adenine derivatives as protein kinase inhibitors BCI制药公司 2019-02-05 CN disclosed
CN-108822002-A A kind of method of ultrasonic wave added synthesis N- aryl sulfonic acid amides 中南大学 2018-11-16 CN disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 WO disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 HTR6 2606/4885KMT2A 1296/4885MEN1 3778/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 HTR6 2606/4885KMT2A 1296/4885MEN1 3778/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 HTR6 3082/4885KMT2A 2379/4885MEN1 4038/4885

“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.