SCHEMBL20239119

SCHEMBL20239119

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN(C(=O)O)S(N)(=O)=O)O[C@H]2n1cc(I)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 13/20 0.49
▸ HASPIN Q8TF76 1/20 0.47
▸ PI4KA P42356 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ STING1 Q86WV6 1/20 0.41
▸ P2RX1 P51575 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ DOT1L Q8TEK3 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) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL18297678 0.83 ADK (0.49) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL90988 0.82 PI4KA (0.66) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL67726 0.82 PI4KA (0.66) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL60676 0.82 PI4KA (0.66) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL18297471 0.81 ADK (0.65) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL18297497 0.80 HASPIN (0.42) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL20239114 0.80 ADK (0.48) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL18297604 0.79 ADK (0.62) ADKHASPINPI4KAPI4K2BPI4K2A
SCHEMBL18297441 0.79 ADK (0.48) ADKHASPINPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 — — US disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 — — 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 (2 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-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 ADK 1818/4885HASPIN 638/4885PI4KA 1515/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 ADK 1818/4885HASPIN 638/4885PI4KA 1515/4885

“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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