SCHEMBL20608754

SCHEMBL20608754

C#Cc1cn([C@@H]2O[C@H](CN(C(=O)OC(C)(C)C)S(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.46
▸ ADK P55263 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ P2RX1 P51575 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ CA2 P00918 3/20 0.37
▸ DAPK3 O43293 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36

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
SCHEMBL20239108 0.89 ADK (0.46) ADKRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL20608752 0.85 DOT1L (0.46) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL18297681 0.82 ADK (0.47) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL1801610 0.78 RXFP1 (0.50) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL20239119 0.78 ADK (0.49) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL18297680 0.78 ADK (0.46) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL18297597 0.78 DOT1L (0.49) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL20711275 0.76 RXFP1 (0.48) DOT1LRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL18297472 0.74 CA2 (0.45) DOT1LADKRXFP1PI4KAPI4K2B
SCHEMBL20239104 0.73 MTOR (0.40) ADK

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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 — — 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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD DOT1L 3882/4885ADK 1745/4885RXFP1 4377/4885

“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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