SCHEMBL20239104

SCHEMBL20239104

CC(C)(C)OC(=O)N(C[C@H]1C[C@@H](n2cc(I)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADK P55263 10/20 0.38
▸ HASPIN Q8TF76 1/20 0.36
▸ SRC P12931 8/20 0.34
▸ EGFR P00533 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
SCHEMBL20239107 0.85 MTOR (0.40) MTORRAB9AADKHASPIN
SCHEMBL20239108 0.84 ADK (0.46) ADKHASPIN
SCHEMBL30941110 0.82 ADK (0.42) MTORRAB9AADKHASPINSRC
SCHEMBL18297492 0.81 ADK (0.41) MTORRAB9AADKHASPINSRC
SCHEMBL18297512 0.81 ADK (0.38) ADKHASPINSRCEGFR
SCHEMBL31617923 0.81 SRC (0.36) MTORRAB9AADKHASPINSRC
SCHEMBL1802098 0.80 RXFP1 (0.37) —
SCHEMBL25048862 0.80 MTOR (0.34) MTORRAB9AADKHASPINSRC
SCHEMBL18297539 0.79 MTOR (0.50) MTORRAB9AADKHASPIN
SCHEMBL18297506 0.79 MTOR (0.52) MTORRAB9AADKHASPIN

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 3 patents. 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
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 (3 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 MTOR 2601/4885RAB9A 1978/4885ADK 1745/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 MTOR 85/4885RAB9A 911/4885ADK 1818/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 MTOR 85/4885RAB9A 911/4885ADK 1818/4885

“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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