SCHEMBL2881907

SCHEMBL2881907

NCc1ccc(C(=O)O)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 13/20 0.67
KDM4E B2RXH2 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
P4HA1 P13674 1/20 0.53

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
SCHEMBL2642450 0.84 KMT2A (0.50) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL18740091 0.83 P4HTM (0.67) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6485768 0.82 KMT2A (0.49) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6482968 0.82 KMT2A (0.49) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2642696 0.82 P4HTM (0.46) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL287277 0.82 P4HTM (0.69) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL21063394 0.81 P4HTM (0.44) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL25355779 0.80 P4HTM (0.57) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL26008291 0.80 P4HTM (0.57) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL31303980 0.80 P4HTM (0.57) P4HTMKDM4EL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP claimed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US disclosed
WO-2021226327-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2021-11-11 WO disclosed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 US disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 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 (7 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG P4HTM 1031/4885KDM4E 3675/4885L3MBTL1 3037/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 P4HTM 2632/4885KDM4E 1281/4885L3MBTL1 1074/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 P4HTM 1752/4885KDM4E 2095/4885L3MBTL1 530/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK P4HTM 2201/4885KDM4E 1261/4885L3MBTL1 2429/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 P4HTM 1136/4885KDM4E 1965/4885L3MBTL1 3200/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL P4HTM 1594/4885KDM4E 224/4885L3MBTL1 669/4885
US-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 P4HTM 1688/4885KDM4E 3784/4885L3MBTL1 529/4885

“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.