SCHEMBL217577

SCHEMBL217577

O=C1c2ccccc2C(=O)N1c1nn(-c2ccoc2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
IMPDH2 P12268 1/20 0.33
CDK8 P49336 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PDE5A O76074 1/20 0.32
GRM5 P41594 1/20 0.32
NR1H3 Q13133 3/20 0.31
NR1H2 P55055 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
SCHEMBL30860316 0.71 DDB1 (0.50) POLBMEN1KMT2AHTTLMNA
SCHEMBL628632 0.71 POLB (0.41) POLBMEN1KMT2AHTTRAB9A
SCHEMBL13899667 0.71 DDB1 (0.50) POLBMEN1KMT2AHTTLMNA
SCHEMBL216606 0.69 BRD4 (0.39) POLBMEN1KMT2AHTTRAB9A
SCHEMBL627443 0.68 SMN1; SMN2 (0.40) POLBMEN1KMT2AHTTRAB9A
SCHEMBL218042 0.67 POLB (0.37) POLBMEN1KMT2AHTTRAB9A
SCHEMBL1461529 0.65 ADORA2A (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16039681 0.65 KDM4E (0.43) POLBKMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL420191 0.64 NR1H3 (0.40) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL31591486 0.64 KMT2A (0.38) POLBPARP1KMT2AALDH1A1PLA2G1B

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 POLB 676/4885PARP1 850/4885MEN1 3601/4885

“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.