SCHEMBL3433147

SCHEMBL3433147

Cc1cc(C)cc(-n2ncc(C#N)c2N)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 1/20 0.58
XDH P47989 2/20 0.52
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RXFP1 Q9HBX9 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.41
PTGS2 P35354 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL6205563 0.84 KMT2A (1.00) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL1456317 0.83 KMT2A (0.71) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL3875714 0.80 KMT2A (0.58) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL12795372 0.78 KMT2A (0.74) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL13747292 0.77 POLB (0.48) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL2743091 0.77 KMT2A (0.56) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL60939 0.76 KMT2A (0.71) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL13430473 0.75 XDH (0.74) KMT2AKDM4EMEN1XDHSMN1; SMN2
SCHEMBL1624241 0.75 XDH (0.74) KMT2AKDM4EMEN1XDHSMN1; SMN2
SCHEMBL838991 0.75 KMT2A (0.62) KMT2AKDM4EMEN1XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
CN-101965350-A Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents NATCO PHARMA LTD 2011-02-02 CN disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 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 (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-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS KMT2A 3617/4885KDM4E 1866/4885MEN1 2856/4885

“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.