SCHEMBL1301400

SCHEMBL1301400

COc1nc2c(cc1Nc1ccc(Cl)c(F)c1)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.46
▸ CDK1 P06493 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ MAPK3 P27361 3/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34

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
SCHEMBL1301395 1.00 METTL3 (0.46) METTL3CDK1CDK5CDK5R1MAPK3
SCHEMBL1301310 0.94 METTL3 (0.46) METTL3CDK1CDK5CDK5R1MAPK3
SCHEMBL1301309 0.94 METTL3 (0.46) METTL3CDK1CDK5CDK5R1MAPK3
SCHEMBL1301775 0.89 METTL3 (0.44) METTL3CDK5CDK2KDM4EP2RX3
SCHEMBL1301771 0.89 METTL3 (0.44) METTL3CDK5CDK2KDM4EP2RX3
SCHEMBL1301654 0.88 METTL3 (0.45) METTL3MAPK3CCNA2CDK2KDM4E
SCHEMBL1301651 0.88 METTL3 (0.45) METTL3MAPK3CCNA2CDK2KDM4E
SCHEMBL1301499 0.86 METTL3 (0.56) METTL3EGFR
SCHEMBL1301495 0.86 METTL3 (0.56) METTL3EGFR
SCHEMBL12108363 0.85 METTL3 (0.48) METTL3MAPK3CCNA2CDK2MAPK1

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — 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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885CDK1 301/4885CDK5 169/4885

“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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