SCHEMBL4899457

SCHEMBL4899457

Nc1nc2c(ncn2-n2ncc3cncnc32)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.44
▸ PNP P00491 3/20 0.44
▸ BLM P54132 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TK1 P04183 2/20 0.42
▸ HPRT1 P00492 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28695644 0.82 XDH (0.43) XDHPNPBLMUSP2TSHR
SCHEMBL523465 0.81 XDH (0.47) XDHPNPBLMUSP2TSHR
SCHEMBL986800 0.78 XDH (0.60) XDHPNPBLMUSP2TSHR
SCHEMBL15005119 0.77 XDH (0.59) XDHPNPBLMUSP2TSHR
SCHEMBL8057728 0.77 ADORA2A (0.44) —
SCHEMBL28348671 0.74 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL1831279 0.74 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL3953063 0.74 XDH (0.38) XDHPNPBLMUSP2TSHR
SCHEMBL27631105 0.70 XDH (0.49) XDHPNPBLMUSP2TSHR
SCHEMBL9241289 0.70 XDH (0.50) XDHPNPBLMUSP2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587238-B1 Gene-targeted apoptosis YALE UNIVERSITY (US) 2017-03-07 — — US disclosed
US-20130203998-A1 Synthesis of Drug Conjugates Via Reaction With Epoxide-Containing Linkers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-08-08 — — US disclosed
US-8431714-B2 Synthesis of drug conjugates via reaction with epoxide-containing linkers UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-04-30 — — US disclosed
US-20080312440-A1 SYNTHESIS OF DRUG CONJUGATES VIA REACTION WITH EPOXIDE-CONTAINING LINKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-12-18 — — US disclosed
US-6143877-A FORMING A TRIPLEX BY CONTACTING DUPLEX NUCLEIC ACID HAVING A TARGET SEQUENCE OF PURINE BASES WITH A OLIGONUCLEOTIDE HAVING AT LEAST ONE GUANINE BASE REPLACED BY 6-AMINO-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4(5H)-ONE EPOCH PHARMACEUTICALS, INC. (US) 2000-11-07 — — 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-20080312440-A1 SYNTHESIS OF DRUG CONJUGATES VIA REACTION WITH EPOXIDE-CONTAINING LINKERS EPHX2, EPHX1, ENPP1 XDH 2869/4885PNP 858/4885BLM 2931/4885
US-20130203998-A1 Synthesis of Drug Conjugates Via Reaction With Epoxide-Containing Linkers EPHX2, EPHX1, ENPP1 XDH 2869/4885PNP 858/4885BLM 2931/4885

“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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