SCHEMBL1533545

SCHEMBL1533545

Nc1nc2[nH]cnc2c(=O)n1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.48
▸ TPO P07202 1/20 0.48
▸ PNP P00491 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ TYMS P04818 1/20 0.40
▸ CYP1A2 P05177 6/20 0.39
▸ CYP3A4 P08684 6/20 0.39
▸ USP2 O75604 5/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL3308556 0.88 PNP (0.45) PNPTYMSALDH1A1HSD17B10PDE4A
SCHEMBL1262618 0.88 PNP (0.45) MPOTPOPNPKMT2APOLB
SCHEMBL17186294 0.88 ADORA3 (0.40) MPOTPOPNPKMT2APOLB
SCHEMBL3303803 0.87 PNP (0.44) PNPKMT2APOLBUSP2P2RX7
SCHEMBL3310264 0.87 PNP (0.44) MPOTPOPNPKMT2APOLB
SCHEMBL3021036 0.87 PNP (0.44) MPOTPOPNPKMT2APOLB
SCHEMBL18247 0.87 PNP (0.59) PNPKMT2APOLBUSP2ALDH1A1
SCHEMBL17186356 0.86 PNP (0.39) MPOTPOPNPCYP1A2CYP3A4
SCHEMBL9235109 0.86 TRAP1 (0.43) MPOTPOPNPALDH1A1PDE4A
Hydrochloric Acid SCHEMBL18605670 0.86 ADORA3 (0.39) MPOTPOPNPKMT2APOLB

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-20120270812-A1 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE DUKE UNIVERSITY (US) 2012-10-25 — — US disclosed
WO-2011028507-A2 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE DUKE UNIVERSITY (US) 2011-03-10 — — WO disclosed
WO-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 — — WO disclosed
EP-0523100-B1 O6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1996-08-28 — — EP disclosed
EP-0523100-A4 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1993-03-17 — — EP disclosed
EP-0523100-A1 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY. US HEALTH (US) 1993-01-20 — — EP disclosed
WO-1991013898-A1 O6-BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-09-19 — — 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 (1 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-20120270812-A1 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE UNG, DNTT, OGG1 MPO 343/4885TPO 1095/4885PNP 33/4885

“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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