SCHEMBL3237641

SCHEMBL3237641

Cc1n[nH]c2c(Cl)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
DYRK1A Q13627 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
YTHDC1 Q96MU7 2/20 0.34
YTHDF2 Q9Y5A9 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24121974 0.81 PDPK1 (0.46) PDPK1DYRK1AYTHDC1YTHDF2ADORA2A
SCHEMBL10120030 0.78 PI4KA (0.44) KDM4EPDPK1ALDH1A1MAPTDYRK1A
SCHEMBL11330441 0.76 PDPK1 (0.42) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL3231071 0.76 KDM4E (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3241299 0.76 KDM4E (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL21347895 0.73 PDPK1 (0.43) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL24908744 0.73 PDPK1 (0.40) PDPK1YTHDC1YTHDF2ADORA2AADORA2B
SCHEMBL11337092 0.73 TP53 (0.49) PDPK1ALDH1A1LMNAYTHDC1YTHDF2
SCHEMBL4574090 0.71 HCAR2 (0.41) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL31194340 0.69 YTHDC1 (0.38) PDPK1DYRK1AYTHDC1ADORA2AADORA2B

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
US-4282361-A Synthesis for 7-alkylamino-3-methylpyrazolo [4,3-d]pyrimidines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US claimed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN 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
US-4282361-A Synthesis for 7-alkylamino-3-methylpyrazolo [4,3-d]pyrimidines MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 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 (1 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-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO KDM4E 2102/4885PDPK1 3929/4885ALDH1A1 1636/4885

“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.