SCHEMBL2435698

SCHEMBL2435698

O=C1[C@@H](O)[C@H](O)C(=O)N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
ALDH1A1 P00352 6/20 0.59
ELANE P08246 2/20 0.59
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
CTSG P08311 1/20 0.59
CMA1 P23946 1/20 0.59
CTRC Q99895 1/20 0.59
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
MGLL Q99685 1/20 0.55
EP300 Q09472 2/20 0.55
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL3990677 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL1503988 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL14189454 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL8714088 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL2435977 1.00 MEN1 (1.00) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL7825065 0.83 MEN1 (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL16775234 0.83 KMT2A (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL16759895 0.83 KMT2A (0.70) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL22647700 0.81 KMT2A (0.68) MEN1KMT2AALDH1A1ELANEF2
SCHEMBL22571107 0.81 KMT2A (0.66) MEN1KMT2AALDH1A1ELANEF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566029-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use IP2IPO INNOVATIONS LIMITED (GB) 2023-01-31 US disclosed
US-20210253583-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE IP2IPO INNOVATIONS LIMITED (GB) 2021-08-19 US disclosed
US-10927119-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use IP2IPO INNOVATIONS LIMITED (GB) 2021-02-23 US disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
US-20200055862-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE EMORY UNIVERSITY 2020-02-20 US disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-10414772-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use IMPERIAL INNOVATIONS LIMITED (GB) 2019-09-17 US disclosed
EP-3107914-B1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECH LTD (GB) 2019-01-30 EP disclosed
US-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-10-18 US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
EP-0973738-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-01-26 EP disclosed
US-5952363-A Pyrrolidine compounds useful in the treatment of diabetes NOVO NORDISK A/S (DK) 1999-09-14 US disclosed
WO-1998040353-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-09-17 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 (9 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-20180297994-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR CHRM2, CHRM1, CHRM3 MEN1 3269/4885KMT2A 1318/4885ALDH1A1 4456/4885
US-20210253583-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 MEN1 2954/4885KMT2A 1803/4885ALDH1A1 4063/4885
US-10927119-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CDK10, CDK1, CDK20 MEN1 2954/4885KMT2A 1803/4885ALDH1A1 4063/4885
US-20200055862-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 MEN1 2954/4885KMT2A 1803/4885ALDH1A1 4063/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 MEN1 1582/4885KMT2A 344/4885ALDH1A1 981/4885
US-11566029-B2 Pyrazolo[1,5-a]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CDK10, CDK1, CDK20 MEN1 2954/4885KMT2A 1803/4885ALDH1A1 4063/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 MEN1 308/4885KMT2A 1677/4885ALDH1A1 751/4885
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 MEN1 3269/4885KMT2A 1318/4885ALDH1A1 4456/4885
US-10414772-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CDK10, CDK1, CDK20 MEN1 2954/4885KMT2A 1803/4885ALDH1A1 4063/4885

“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.