SCHEMBL212821

SCHEMBL212821

O=C1c2ccccc2C(=O)N1c1nn(-c2nccs2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
POLB P06746 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
MPI P34949 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C3 P42330 1/20 0.41
KMT2A Q03164 5/20 0.38

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
SCHEMBL30486192 0.77 HSD17B10 (0.73) HSD17B10MAPTNPSR1POLBHTT
SCHEMBL29204149 0.77 HSD17B10 (0.73) HSD17B10MAPTNPSR1POLBHTT
SCHEMBL216173 0.74 CYP17A1 (0.42) HSD17B10MAPTNPSR1LMNACYP17A1
SCHEMBL216606 0.73 BRD4 (0.39) MAPTPOLBHTTALDH1A1KMT2A
SCHEMBL15052361 0.71 PDPK1 (0.41) MAPTCYP17A1CYP1A2KDM4EALDH1A1
SCHEMBL628632 0.70 POLB (0.41) POLBHTTKDM4EALDH1A1TDP1
SCHEMBL30860316 0.70 DDB1 (0.50) MAPTPOLBHTTLMNAKDM4E
SCHEMBL13899667 0.70 DDB1 (0.50) MAPTPOLBHTTLMNAKDM4E
SCHEMBL217577 0.70 POLB (0.34) HSD17B10POLBHTTLMNAALDH1A1
SCHEMBL627443 0.67 SMN1; SMN2 (0.40) MAPTPOLBHTTLMNACYP1A2

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 HSD17B10 2440/4885MAPT 4723/4885NPSR1 4157/4885

“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.