SCHEMBL13320862

SCHEMBL13320862

O=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1I)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ SYK P43405 3/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ EGFR P00533 2/20 0.52
▸ PKMYT1 Q99640 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ INSR P06213 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ CCNK O75909 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CDK9 P50750 1/20 0.50
▸ CDK6 Q00534 1/20 0.50

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
SCHEMBL13320722 0.96 SYK (0.55) GAASYKMAPK8MAPK9MAPK10
SCHEMBL13300745 0.91 MAPK8 (0.65) GAASYKMAPK8MAPK9MAPK10
SCHEMBL13300744 0.90 MAPK8 (0.66) GAASYKMAPK8MAPK9MAPK10
SCHEMBL13321191 0.88 MAPK8 (0.54) SYKMAPK8MAPK9MAPK10EGFR
SCHEMBL13300739 0.86 MAPK8 (0.68) SYKMAPK8MAPK9MAPK10EGFR
SCHEMBL13320859 0.86 MAPK8 (0.57) MAPK8MAPK9MAPK10EGFRPKMYT1
SCHEMBL13300746 0.86 MAPK8 (0.67) MAPK8MAPK9MAPK10EGFRPKMYT1
SCHEMBL13321203 0.86 AURKB (0.55) SYKMAPK8MAPK9MAPK10EGFR
SCHEMBL13320721 0.85 FLT3 (0.60) SYKMAPK8MAPK9MAPK10EGFR
SCHEMBL13320273 0.84 PKMYT1 (0.56) MAPK8MAPK9MAPK10EGFRPKMYT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — 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-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP GAA 2817/4885SYK 499/4885MAPK8 532/4885

“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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