SCHEMBL218024

SCHEMBL218024

COc1ccc(COc2ccc3c(c2)n(-c2ccccn2)n2c(=O)c4cnc(SC)nc4nc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SLC11A2 P49281 1/20 0.34
GRM5 P41594 1/20 0.34
CYP19A1 P11511 3/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL185972 0.94 CSF1R (0.35) CSF1RALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL188869 0.92 F2RL3 (0.36) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL188684 0.87 CSF1R (0.37) CSF1RALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2877876 0.85 SLC22A12 (0.35) MEN1KMT2A
SCHEMBL188536 0.83 MEN1 (0.36) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL2875942 0.82 MEN1 (0.37) MEN1KMT2A
SCHEMBL188969 0.82 MEN1 (0.34) F2RL3MEN1KMT2A
SCHEMBL188485 0.81 MEN1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4ESLC11A2
SCHEMBL216006 0.80 POLB (0.40) ALDH1A1LMNATSHRSMN1; SMN2KDM4E
SCHEMBL221996 0.78 KDM4C (0.38) NPC1RAB9AMEN1KMT2AL3MBTL1

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 CSF1R 1468/4885ALDH1A1 1119/4885LMNA 4499/4885

“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.