SCHEMBL19979296

SCHEMBL19979296

C#CCNC(=O)c1ncn2c(=O)n(C)nnc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA9 Q16790 4/20 0.62
MEN1 O00255 1/20 0.60
PABPC1 P11940 1/20 0.60
KMT2A Q03164 1/20 0.60
RIPK1 Q13546 1/20 0.37
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GPX4 P36969 1/20 0.33
LMNA P02545 1/20 0.33
CA14 Q9ULX7 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
ADORA2B P29275 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL23588594 0.88 MEN1 (0.60) CA12CA1CA2CA9MEN1
SCHEMBL18737910 0.86 MEN1 (0.64) CA12CA1CA2CA9MEN1
SCHEMBL21711170 0.84 MEN1 (0.61) CA12CA1CA2CA9MEN1
SCHEMBL16569258 0.84 MEN1 (0.61) CA12CA1CA2CA9MEN1
SCHEMBL24230437 0.84 CA12 (0.64) CA12CA1CA2CA9MEN1
SCHEMBL15788844 0.83 KMT2A (0.72) CA12CA1CA2CA9MEN1
SCHEMBL5354599 0.82 KMT2A (0.60) CA12CA1CA2CA9MEN1
SCHEMBL19979306 0.81 KMT2A (0.59) CA12CA1CA2CA9MEN1
SCHEMBL5359267 0.81 CA12 (0.61) CA12CA1CA2CA9MEN1
SCHEMBL891881 0.81 MEN1 (0.69) CA12CA1CA2CA9MEN1

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-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease UNIVERSITY OF MASSACHUSETTS (US) 2024-02-27 US disclosed
US-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease UNIVERSITY OF MASSACHUSETTS (US) 2024-02-27 US disclosed
US-10995094-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease THE UNIVERSITY OF MASSACHUSETTS (US) 2021-05-04 US disclosed
US-20200140448-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE NATIONAL SCIENCE FOUNDATION 2020-05-07 US disclosed
US-10562901-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease THE UNIVERSITY OF MASSACHUSETTS (US) 2020-02-18 US disclosed
US-20180079754-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE NATIONAL SCIENCE FOUNDATION 2018-03-22 US disclosed
US-20180079754-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE NATIONAL SCIENCE FOUNDATION 2018-03-22 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 (5 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-11912709-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease PBRM1, MGMT, TOP1 CA12 2243/4885CA1 2340/4885CA2 4763/4885
US-20200140448-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE PBRM1, MGMT, TOP1 CA12 2243/4885CA1 2340/4885CA2 4763/4885
US-10562901-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease PBRM1, MGMT, TOP1 CA12 2243/4885CA1 2340/4885CA2 4763/4885
US-20180079754-A1 TEMOZOLOMIDE COMPOUNDS, POLYMERS PREPARED THEREFROM, AND METHOD OF TREATING A DISEASE PBRM1, MGMT, TOP1 CA12 2243/4885CA1 2340/4885CA2 4763/4885
US-10995094-B2 Temozolomide compounds, polymers prepared therefrom, and method of treating a disease PBRM1, MGMT, TOP1 CA12 2243/4885CA1 2340/4885CA2 4763/4885

“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.