SCHEMBL3231071

SCHEMBL3231071

CC(C)c1n[nH]c2c(Cl)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
DYRK1A Q13627 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
CCNB2 O95067 3/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
FFAR2 O15552 1/20 0.31

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
SCHEMBL14005628 0.80 LIMK1 (0.38) LMNAFFAR2
SCHEMBL3237641 0.76 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3241299 0.71 KDM4E (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL11617356 0.71 CHEK1 (0.40) CCNB2CDK1CCNB1CCNB3
SCHEMBL3236525 0.70 CDK1 (0.66) CCNB2CDK1CCNB1CCNB3
SCHEMBL21347895 0.69 PDPK1 (0.43) CCNB2CDK1CCNB1CCNB3FFAR2
SCHEMBL3231063 0.69 CCNB2 (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3234802 0.67 CCNB2 (0.63) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3239170 0.67 CDK1 (0.63) KMT2AMEN1LMNAMAPK1CCNB2
SCHEMBL4574090 0.67 HCAR2 (0.41) KDM4EALDH1A1KMT2AMEN1MAPT

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-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 EP disclosed
US-9957273-B2 5-substituted 7- [4-(2-pyridyl)phenylmethylamino] -3-isopropylpyrazolo4,3-D]pyrimidine derivatives, use thereof as medicaments, and pharmaceutical compositions USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-05-01 US disclosed
US-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-03-15 US disclosed
WO-2016180380-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2016-11-17 WO disclosed
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
WO-2004098608-A1 PYRAZOLO [4, 3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS OF USE ÚSTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-11-18 WO disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP 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 (2 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-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS CDK5, CDK2, CDK4 KDM4E 1007/4885ALDH1A1 3276/4885KMT2A 2338/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO KDM4E 2102/4885ALDH1A1 1636/4885KMT2A 4252/4885

“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.