SCHEMBL2304428

SCHEMBL2304428

CCC(C#N)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
SLC6A3 Q01959 1/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.43
TRPA1 O75762 1/20 0.42
CYP2A6 P11509 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
MMP26 Q9NRE1 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 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
SCHEMBL20074617 0.83 LMNA (0.47) SLC6A3CA1CA2ALDH1A1KMT2A
SCHEMBL1143242 0.83 HTT (0.47) GSK3BCA1CA2ALDH1A1MAPT
SCHEMBL12722668 0.83 ALDH1A1 (0.48) SLC6A3ALDH1A1MAPTCYP2A6TDP1
SCHEMBL31468333 0.82 PGR (0.47) SLC6A3ALDH1A1MAPTKMT2ARAB9A
SCHEMBL12529310 0.80 RAPGEF3 (0.47) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL25214174 0.79 ESR2 (0.47) CA1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9352582 0.79 GSK3B (0.56) GSK3BSLC6A3CA1CA2ALDH1A1
SCHEMBL2308547 0.78 GSK3B (0.50) GSK3BCA1CA2KMT2AMEN1
SCHEMBL21741477 0.77 GSK3B (0.53) GSK3BSLC6A3CA1CA2ALDH1A1
SCHEMBL14211943 0.77 GSK3B (0.53) GSK3BSLC6A3CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
EP-2350017-A1 AMIDE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2011-08-03 EP disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 WO disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 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 (4 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-20100249091-A1 Amide Compounds Useful in Therapy PTGER3, PTGER1, PTGER2 GSK3B 4342/4885SLC6A3 3849/4885CA1 1452/4885
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS GSK3B 3557/4885SLC6A3 3291/4885CA1 4867/4885
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY GNRHR, RXFP1, ARG1 GSK3B 4275/4885SLC6A3 3897/4885CA1 579/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS GSK3B 3557/4885SLC6A3 3291/4885CA1 4867/4885

“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.