SCHEMBL3560144

SCHEMBL3560144

O=C(NCCc1ccncc1)c1cc(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(c5nnnn5-c5ccccc5)CC4)c[nH]c23)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SCD O00767 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 2/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3565844 0.91 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL13116972 0.91 CYP2C9 (0.42) ALDH1A1MAPTTP53SMN1; SMN2POLB
SCHEMBL13117319 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBLMNANPSR1
SCHEMBL3569019 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL3563582 0.87 MAPT (0.39) ALDH1A1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3563185 0.87 NTRK1 (0.37) ALDH1A1
SCHEMBL3561231 0.87 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL13139654 0.86 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL13117113 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBLMNANPSR1
SCHEMBL13117112 0.85 BTK (0.36) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
CN-101432278-A Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2009-05-13 CN disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885MAPT 2969/4885TP53 2185/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885MAPT 2969/4885TP53 2185/4885

“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.