SCHEMBL17918401

SCHEMBL17918401

Nc1ncnc2c1cc(C#CCO)n2C1OC(CO)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA8 P11142 3/20 0.55
▸ HSPA5 P11021 2/20 0.55
▸ CDK5 Q00535 1/20 0.53
▸ CDK5R1 Q15078 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HBB P68871 1/20 0.53
▸ ADORA3 P0DMS8 3/20 0.52
▸ DOT1L Q8TEK3 3/20 0.51
▸ GAPDH P04406 2/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL18464494 0.89 ADK (0.51) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL22315144 0.88 ADORA3 (0.51) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL15746955 0.87 HSPA5 (0.45) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL19007434 0.86 HSPA5 (0.46) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL23114970 0.85 HSPA8 (0.40) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL1740449 0.83 HSPA5 (0.63) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL17472296 0.83 HSPA8 (0.45) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL20419157 0.81 HSPA5 (0.61) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL6380760 0.81 HSPA8 (0.61) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2
SCHEMBL20419330 0.78 HSPA8 (0.58) HSPA8HSPA5CDK5CDK5R1SMN1; SMN2

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-9782462-B2 Modified polynucleotides for the production of proteins associated with human disease MODERNATX, INC. (US) 2017-10-10 — — US disclosed
US-20170028085-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF NUCLEAR PROTEINS MODERNATX INC (US) 2017-02-02 — — US disclosed
US-20160199513-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE ARES CAPITAL CORPORATION, AS AGENT 2016-07-14 — — 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 (2 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-20160199513-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE POLRMT, POLM, POLN HSPA8 1177/4885HSPA5 847/4885CDK5 2861/4885
US-20170028085-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF NUCLEAR PROTEINS POLN, POLRMT, MSH2 HSPA8 1575/4885HSPA5 1404/4885CDK5 2296/4885

“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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