SCHEMBL189023

SCHEMBL189023

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ccsc2)ccc1N1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 7/20 0.47
▸ LCK P06239 3/20 0.45
▸ SRC P12931 3/20 0.45
▸ KDR P35968 2/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ WEE1 P30291 2/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ EGFR P00533 4/20 0.44
▸ BTK Q06187 3/20 0.44
▸ LYN P07948 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ TTK P33981 1/20 0.43

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
SCHEMBL8513556 0.90 TNK2 (0.46) TNK2LCKSRCKDRFLT3
SCHEMBL8511912 0.90 TNK2 (0.46) TNK2LCKSRCKDRFLT3
SCHEMBL8509417 0.89 TNK2 (0.48) TNK2LCKSRCKDRFLT3
SCHEMBL187898 0.88 TNK2 (0.48) TNK2LCKSRCKDRFLT3
SCHEMBL8510401 0.87 TNK2 (0.51) TNK2LCKSRCKDRFLT3
SCHEMBL215533 0.87 TNK2 (0.48) TNK2LCKSRCKDRFLT3
SCHEMBL8509340 0.86 WEE1 (0.50) TNK2LCKSRCKDRFLT3
SCHEMBL8511325 0.86 TNK2 (0.48) TNK2LCKSRCKDRFLT3
SCHEMBL8513062 0.86 TNK2 (0.48) TNK2LCKSRCKDRFLT3
SCHEMBL8510506 0.86 TNK2 (0.48) TNK2LCKSRCKDRFLT3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 — — US claimed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 — — US claimed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 — — EP claimed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 — — WO claimed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 — — US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 — — US disclosed
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
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 — — 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 TNK2 170/4885LCK 540/4885SRC 546/4885

“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.

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