SCHEMBL8511920

SCHEMBL8511920

Cc1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)cc1OCCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.42
▸ LCK P06239 7/20 0.42
▸ KDR P35968 7/20 0.42
▸ FGFR1 P11362 2/20 0.37
▸ EGFR P00533 6/20 0.36
▸ WEE1 P30291 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ TNK2 Q07912 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL8510431 0.92 EGFR (0.39) SRCLCKKDRFGFR1EGFR
SCHEMBL8514403 0.92 LCK (0.41) SRCLCKKDRFGFR1EGFR
SCHEMBL213088 0.89 SRC (0.49) SRCLCKKDRFGFR1EGFR
SCHEMBL9609439 0.89 SRC (0.43) SRCLCKKDRFGFR1EGFR
SCHEMBL8511945 0.86 SRC (0.48) SRCLCKKDRFGFR1EGFR
SCHEMBL8509293 0.82 WEE1 (0.40) SRCLCKKDREGFRWEE1
SCHEMBL8510013 0.81 WEE1 (0.38) SRCLCKKDRFGFR1EGFR
SCHEMBL188629 0.81 WEE1 (0.40) EGFRWEE1
SCHEMBL9609438 0.80 SRC (0.41) SRCLCKKDRFGFR1EGFR
SCHEMBL8514337 0.80 WEE1 (0.38) EGFRWEE1TNK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

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