SCHEMBL18297667

SCHEMBL18297667

CC1(C)O[C@@H]2[C@@H](CNS(=O)(=O)OC(N)=O)C[C@@H](n3cc(I)c4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADK P55263 13/20 0.40
▸ HASPIN Q8TF76 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ STING1 Q86WV6 1/20 0.34
▸ RET P07949 1/20 0.32
▸ ATG7 O95352 1/20 0.32

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
SCHEMBL18297563 0.90 MTOR (0.39) MTORRAB9AADKHASPINCA2
SCHEMBL20239116 0.86 MTOR (0.42) MTORRAB9AADKHASPINCA2
SCHEMBL18297492 0.86 ADK (0.41) MTORRAB9AADKHASPINCA2
SCHEMBL18297441 0.83 ADK (0.48) ADKHASPINCA2RXFP1STING1
SCHEMBL30941110 0.82 ADK (0.42) MTORRAB9AADKHASPIN
SCHEMBL18297506 0.81 MTOR (0.52) MTORRAB9AADKHASPINSTING1
SCHEMBL18297539 0.80 MTOR (0.50) MTORRAB9AADKHASPINSTING1
SCHEMBL20239107 0.79 MTOR (0.40) MTORRAB9AADKHASPINCA2
SCHEMBL20239104 0.77 MTOR (0.40) MTORRAB9AADKHASPIN
SCHEMBL18297644 0.74 ADK (0.45) ADKHASPINRXFP1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 — — EP disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 — — US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 — — EP disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 — — US disclosed
EP-3103802-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT Taiho Pharmaceutical Co., Ltd. (JP) 2016-12-14 — — EP 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-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 MTOR 180/4885RAB9A 1230/4885ADK 1532/4885

“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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