SCHEMBL188185

SCHEMBL188185

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ncccn2)ccc1OCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.43
LCK P06239 5/20 0.43
KDR P35968 5/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCND3 P30281 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
PTK2 Q05397 1/20 0.39
FGFR1 P11362 3/20 0.38
EGFR P00533 6/20 0.37
ALK Q9UM73 1/20 0.37
CCND2 P30279 1/20 0.36
WEE1 P30291 3/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL215535 0.83 WEE1 (0.49) SRCLCKKDRWEE1
SCHEMBL8509847 0.82 EGFR (0.54) EGFRWEE1
SCHEMBL188193 0.81 CAMK2D (0.41) SRCLCKKDREGFRWEE1
SCHEMBL8514407 0.81 WEE1 (0.53) SRCLCKKDRCDK4CCND1
SCHEMBL8511920 0.80 SRC (0.42) SRCLCKKDRCDK4CCND1
SCHEMBL187898 0.79 TNK2 (0.48) SRCLCKKDREGFRWEE1
SCHEMBL8512740 0.78 TNK2 (0.41) SRCLCKKDREGFRWEE1
SCHEMBL8514403 0.78 LCK (0.41) SRCLCKKDRCDK4CCND1
SCHEMBL8510431 0.78 EGFR (0.39) SRCLCKKDRCDK4CCND1
SCHEMBL8511945 0.77 SRC (0.48) SRCLCKKDRCDK4CCND1

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 SRC 546/4885LCK 540/4885KDR 817/4885

“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.