SCHEMBL216606

SCHEMBL216606

Cn1ccnc1-n1nc(N2C(=O)c3ccccc3C2=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
GRM1 Q13255 1/20 0.36
NTRK1 P04629 2/20 0.34
HTT P42858 2/20 0.34
MAP3K5 Q99683 1/20 0.34
RAF1 P04049 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIM1 P11309 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL13899667 0.75 DDB1 (0.50) NTRK1HTTMAPTPOLBL3MBTL1
SCHEMBL30860316 0.75 DDB1 (0.50) NTRK1HTTMAPTPOLBL3MBTL1
SCHEMBL214929 0.74 LIMK1 (0.37) BRD4HTTHTR2CHTR2ATSHR
SCHEMBL628632 0.69 POLB (0.41) HTTRAB9APOLBCCNT1CDK9
SCHEMBL217577 0.69 POLB (0.34) HTTRAB9APOLBMEN1KMT2A
SCHEMBL627443 0.69 SMN1; SMN2 (0.40) NTRK1HTTRAB9AMAPTPOLB
SCHEMBL17463116 0.67 GPR3 (0.43) BRD4HTTMAPTATMPOLB
SCHEMBL30860219 0.67 MPO (0.44) RAB9AALDH1A1
SCHEMBL218042 0.65 POLB (0.37) HTTHTR2ARAB9AMAPTPOLB
SCHEMBL31591483 0.65 ALDH1A1 (0.45) HTTTSHRRAB9AMAPTMEN1

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 BRD4 1149/4885GRM1 1876/4885NTRK1 1547/4885

“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.