SCHEMBL18577866

SCHEMBL18577866

Nc1ncnc2c1c(-c1cnn(Cc3ccccc3)c1)cn2[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 1.00
▸ METTL3 Q86U44 1/20 0.48
▸ ATG7 O95352 5/20 0.45
▸ NAE1 Q13564 4/20 0.43
▸ UBA3 Q8TBC4 4/20 0.43
▸ SAE1 Q9UBE0 3/20 0.43
▸ UBA2 Q9UBT2 3/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ ABL2 P42684 2/20 0.43
▸ LCK P06239 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL18297722 0.85 CA2 (0.74) CA2ATG7
SCHEMBL18297534 0.79 CA2 (1.00) CA2METTL3ATG7NAE1UBA3
SCHEMBL18297698 0.76 CA2 (0.78) CA2ATG7
SCHEMBL18297585 0.73 ADK (0.58) CA2ABL1EGFRABL2LCK
SCHEMBL23080273 0.71 CA2 (0.55) CA2ATG7NAE1UBA3
SCHEMBL1795319 0.71 CA2 (0.55) CA2ATG7NAE1UBA3
SCHEMBL30940795 0.71 METTL3 (0.58) CA2METTL3ABL1EGFRABL2
SCHEMBL25047789 0.71 METTL3 (0.58) CA2METTL3ABL1EGFRABL2
SCHEMBL12566881 0.70 CA2 (0.53) CA2NAE1UBA3
SCHEMBL17898107 0.69 ADORA3 (0.60) CA2NAE1UBA3

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 6 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
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

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 CA2 2864/4885METTL3 4259/4885ATG7 4035/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 CA2 625/4885METTL3 2744/4885ATG7 4283/4885
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 CA2 172/4885METTL3 4039/4885ATG7 4457/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 CA2 625/4885METTL3 2744/4885ATG7 4283/4885

“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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