SCHEMBL985176

SCHEMBL985176

NCC(c1ccccc1)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.43
▸ SLC2A1 P11166 1/20 0.40
▸ CDK1 P06493 4/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA1 P78396 3/20 0.38
▸ PIN1 Q13526 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MGMT P16455 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ POLB P06746 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
Hydrochloric Acid SCHEMBL2775956 0.99 PNP (0.42) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL28061198 0.89 PNP (0.39) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL22090217 0.84 PNP (0.42) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL1533592 0.82 SLC2A1 (0.41) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL6952184 0.82 SLC2A1 (0.41) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL1533534 0.82 SLC2A1 (0.44) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL10474536 0.78 SLC2A1 (0.39) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL27617652 0.77 PNP (0.44) PNPCDK1CCNB1CCNA2CDK2
SCHEMBL17186381 0.75 PNP (0.44) PNPSLC2A1CDK1CCNB1CCNA2
SCHEMBL18605636 0.75 PNP (0.44) PNPSLC2A1CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-08-11 — — US disclosed
US-20140023592-A1 SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS RWTH AACHEN (DE) 2014-01-23 — — US disclosed
EP-2587263-A1 Self coupling recombinant antibody fusion proteins Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2013-05-01 — — EP disclosed
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 — — US disclosed
US-7825096-B2 O6-alkylguanine-DNA alkyltransferase inactivators and beta-glucuronidase cleavable prodrugs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 — — US disclosed
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 — — US disclosed
US-20100183516-A1 SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2010-07-22 — — US disclosed
EP-2171456-A2 SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2010-04-07 — — EP disclosed
WO-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 — — WO disclosed
WO-2009013359-A2 SELF COUPLING RECOMBINANT ANTIBODY FUSION PROTEINS FRAUNHOFER GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2009-01-29 — — WO disclosed
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 — — US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 — — 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 (4 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-20110014196-A1 Drug Transfer into Living Cells TSPO, MPI, ABCB1 PNP 112/4885SLC2A1 8/4885CDK1 2503/4885
US-20160230011-A1 CELL PERMEABLE, FLUORESCENT DYE EPCAM, IK, TSPO PNP 4748/4885SLC2A1 761/4885CDK1 2296/4885
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 PNP 176/4885SLC2A1 1035/4885CDK1 3650/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG PNP 20/4885SLC2A1 227/4885CDK1 1443/4885

“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.

Send feedback