SCHEMBL3425790

SCHEMBL3425790

Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 1.00
MGMT P16455 9/20 0.62
CDK1 P06493 7/20 0.60
CCNB1 P14635 7/20 0.60
CCNA2 P20248 6/20 0.60
CDK2 P24941 6/20 0.60
CCNA1 P78396 6/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL29795745 1.00 PIN1 (1.00) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL2775958 0.84 PIN1 (0.73) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL18573846 0.83 PIN1 (0.71) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL2097005 0.80 PIN1 (0.67) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL28785335 0.80 PIN1 (0.66) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL2383470 0.79 PIN1 (0.66) PIN1MGMTLMNA
SCHEMBL3338895 0.78 PIN1 (0.76) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL2100316 0.78 MGMT (0.63) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL24218387 0.77 PIN1 (0.70) PIN1MGMTCDK1CCNB1CCNA2
SCHEMBL29749175 0.77 MGMT (0.81) PIN1MGMTCDK1CCNB1CCNA2

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-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN disclosed
WO-2021055960-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO (US) 2021-03-25 WO disclosed
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO 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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 PIN1 2586/4885MGMT 18/4885CDK1 3650/4885
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 PIN1 11/4885MGMT 783/4885CDK1 987/4885

“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.