SCHEMBL219275

SCHEMBL219275

COC(=O)c1ccc2c(c1)c1nc3nc(SC)ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.36
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
FGFR1 P11362 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL216006 0.93 POLB (0.40) POLBTSHRGAATP53KDM4E
SCHEMBL188538 0.86 MEN1 (0.36) POLBGAAKDM4EMEN1KMT2A
SCHEMBL8511947 0.86 POLB (0.39) POLBTSHRGAATP53KDM4E
SCHEMBL215643 0.84 TSHR (0.35) POLBTSHRGAATP53KDM4E
SCHEMBL188485 0.84 MEN1 (0.40) POLBGAAKDM4EL3MBTL1MEN1
SCHEMBL188869 0.81 F2RL3 (0.36) TSHRKDM4EL3MBTL1MEN1KMT2A
SCHEMBL218961 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL188536 0.81 MEN1 (0.36) POLBGAAKDM4EMEN1KMT2A
SCHEMBL185972 0.80 CSF1R (0.35) TSHRKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL2875942 0.79 MEN1 (0.37) POLBGAAMEN1KMT2A

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 676/4885TSHR 1156/4885GAA 3616/4885

“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.