SCHEMBL18297616

SCHEMBL18297616

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3cc(I)c4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 17/20 0.49
▸ SLC29A1 Q99808 1/20 0.49
▸ MTOR P42345 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 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
SCHEMBL25048010 0.89 ADK (0.45) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL18297506 0.88 MTOR (0.52) ADKMTORRAB9API4KAPI4K2B
SCHEMBL30941168 0.88 ADK (0.46) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL17549902 0.85 HTR2B (0.38) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL30941231 0.84 ADK (0.42) ADKSLC29A1MTORRAB9A
SCHEMBL18297536 0.84 ADK (0.42) ADKSLC29A1MTORRAB9A
SCHEMBL31618010 0.82 ADK (0.39) ADKSLC29A1MTORRAB9A
SCHEMBL17889809 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KB
SCHEMBL5319686 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KB
SCHEMBL5318875 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KB

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 8 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
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 — — EP 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
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 (4 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 ADK 1745/4885SLC29A1 691/4885MTOR 2601/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 ADK 1818/4885SLC29A1 456/4885MTOR 85/4885
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 ADK 1532/4885SLC29A1 349/4885MTOR 180/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 ADK 1818/4885SLC29A1 456/4885MTOR 85/4885

“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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