SCHEMBL214993

SCHEMBL214993

CSc1ncc2c(=O)n3c(nc2n1)c1ccccc1n3C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 8/20 0.34
MAPT P10636 4/20 0.33
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.31
TTK P33981 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ATM Q13315 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL215507 0.89 MEN1 (0.39) MEN1KMT2AKDM4EMAPTATM
SCHEMBL188721 0.85 MEN1 (0.44) MEN1KMT2AKDM4EMAPTNTRK1
SCHEMBL214613 0.82 MEN1 (0.42) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL188388 0.81 MEN1 (0.41) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL8510032 0.81 MEN1 (0.39) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL212647 0.80 KMT2A (0.41) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL189137 0.80 MEN1 (0.41) MEN1KMT2AMAPTPIM1TTK
SCHEMBL215334 0.79 MEN1 (0.42) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL188485 0.79 MEN1 (0.40) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL188840 0.79 MEN1 (0.40) MEN1KMT2AKDM4EMAPTLMNA

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 MEN1 3601/4885KMT2A 3701/4885KDM4E 1155/4885

“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.