SCHEMBL218042

SCHEMBL218042

O=C1c2ccccc2C(=O)N1c1nn(C2CC2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL628632 0.75 POLB (0.41) POLBKDM4EHTTALDH1A1RAB9A
SCHEMBL30860316 0.75 DDB1 (0.50) POLBKDM4EHTTHPGDMAPT
SCHEMBL13899667 0.75 DDB1 (0.50) POLBKDM4EHTTHPGDMAPT
SCHEMBL627443 0.72 SMN1; SMN2 (0.40) POLBKDM4EHTTSMN1; SMN2HPGD
SCHEMBL23937822 0.69 ESR1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30780929 0.69 DHFR (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL214811 0.69 DHFR (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20552539 0.69 ALDH1A1 (0.34) HTTALDH1A1MEN1KMT2A
SCHEMBL10831465 0.68 BCHE (0.47) CNR2CNR1KDM4EHTR7ALDH1A1
SCHEMBL31429395 0.68 CYP3A4 (0.44) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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 676/4885PDE4A 3558/4885PDE4B 2643/4885

“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.