SCHEMBL18297489

SCHEMBL18297489

Nc1ncnc2c1c(C#Cc1cccc3ccccc13)cn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 3/20 0.68
▸ UBA3 Q8TBC4 2/20 0.68
▸ ATG7 O95352 14/20 0.61
▸ CA2 P00918 3/20 0.55
▸ UBA1 P22314 1/20 0.55
▸ SAE1 Q9UBE0 1/20 0.55
▸ UBA2 Q9UBT2 1/20 0.55
▸ RNMT O43148 1/20 0.52

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
SCHEMBL18297641 0.89 NAE1 (0.70) NAE1UBA3ATG7CA2RNMT
SCHEMBL18297682 0.88 CA2 (0.69) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297460 0.86 NAE1 (0.86) NAE1UBA3ATG7CA2UBA1
SCHEMBL19547898 0.80 CA2 (0.49) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297537 0.80 CA2 (0.66) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297582 0.79 CA2 (0.65) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297609 0.78 CA2 (0.66) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297716 0.78 CA2 (0.70) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297466 0.78 CA2 (0.68) NAE1UBA3CA2UBA1SAE1
SCHEMBL18297566 0.77 CA2 (0.67) NAE1UBA3CA2UBA1SAE1

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 7 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
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 NAE1 2367/4885UBA3 3288/4885ATG7 4035/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 NAE1 312/4885UBA3 3286/4885ATG7 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 NAE1 55/4885UBA3 3061/4885ATG7 4457/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 NAE1 312/4885UBA3 3286/4885ATG7 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.

Send feedback