SCHEMBL20970002

SCHEMBL20970002

CCCC[Sn](CCCC)(CCCC)c1cccc(COn2c(N)nc3nc[nH]c3c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.39
MGMT P16455 4/20 0.39
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CDK2 P24941 4/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
POLA1 P09884 2/20 0.33

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
SCHEMBL7702158 0.79 PIN1 (0.53) PIN1MGMTCDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL18605740 0.78 PIN1 (0.52) PIN1MGMTCDK1CCNB1CDK2
SCHEMBL27775483 0.75 CDK1 (0.43) PIN1MGMTCDK1CCNB1CDK2
SCHEMBL27503508 0.73 CDK1 (0.50) PIN1MGMTCDK1CCNB1CDK2
SCHEMBL17186555 0.71 PIK3CA (0.40) CDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20970003 0.71
Hydrochloric Acid SCHEMBL17186643 0.71 PIK3CA (0.39) CDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17186533 0.69 SMN1; SMN2 (0.42) PIN1MGMTCDK1CCNB1CDK2
Hydrochloric Acid SCHEMBL18605766 0.68 SMN1; SMN2 (0.42) PIN1MGMTCDK1CCNB1CDK2
SCHEMBL28026664 0.67 PNP (0.45) PIN1MGMTCDK1CCNB1CDK2

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-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2021-04-20 US disclosed
US-20190308974-A1 11C -LABELED O6 -BENZYLGUANINE, PET PROBE CAPABLE OF VISUALIZING O6 -METHYL GUANINE METHYL-TRANSFERASE ACTIVITY, AND PRODUCTION METHOD OF THE SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2019-10-10 US disclosed
EP-3483160-A1 11C-LABELLED O6-BENZYLGUANINE, POSITRON EMISSION TOMOGRAPHY (PET) PROBE CAPABLE OF VISUALIZING O6-METHYL GUANINE METHYL-TRANSFERASE ACTIVITY, AND PRODUCTION METHODS THEREFOR National Center for Geriatrics and Gerontology (JP) 2019-05-15 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 (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-20190308974-A1 11C -LABELED O6 -BENZYLGUANINE, PET PROBE CAPABLE OF VISUALIZING O6 -METHYL GUANINE METHYL-TRANSFERASE ACTIVITY, AND PRODUCTION METHOD OF THE SAME DIMT1, ICMT, NUDT1 PIN1 1616/4885MGMT 24/4885CDK1 3266/4885
US-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same DIMT1, MPG, NUDT1 PIN1 1405/4885MGMT 17/4885CDK1 3433/4885

“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.