SCHEMBL189137

SCHEMBL189137

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ATM Q13315 1/20 0.34
USP2 O75604 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PKM P14618 1/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CASP1 P29466 3/20 0.31
CASP7 P55210 3/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 3/20 0.31
MAPK1 P28482 2/20 0.31
XBP1 P17861 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
SCHEMBL188721 0.83 MEN1 (0.44) MEN1KMT2AUSP2CYP1A2CASP1
SCHEMBL216936 0.82 MEN1 (0.39) MEN1KMT2AATMUSP2PKM
SCHEMBL214613 0.80 MEN1 (0.42) MEN1KMT2ATSHRLMNAMAPK1
SCHEMBL214993 0.80 MEN1 (0.42) MEN1KMT2AATMPIM1TTK
SCHEMBL188388 0.79 MEN1 (0.41) MEN1KMT2APKMLMNAMAPK1
SCHEMBL188207 0.79 MEN1 (0.39) MEN1KMT2ARXFP1LMNAALDH1A1
SCHEMBL212647 0.78 KMT2A (0.41) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL188840 0.77 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL217160 0.77 MEN1 (0.40) MEN1KMT2AUSP2CYP1A2CYP3A4
SCHEMBL188485 0.77 MEN1 (0.40) MEN1KMT2ALMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MEN1 3601/4885KMT2A 3701/4885ATM 46/4885

“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.