SCHEMBL4830973

SCHEMBL4830973

Cc1ncnn1-c1ccccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.47
KCNN4 O15554 2/20 0.42
TSHR P16473 1/20 0.41
SLC2A1 P11166 2/20 0.40
SLC2A3 P11169 2/20 0.40
SLC2A2 P11168 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
EGLN2 Q96KS0 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL5478114 0.86 EGLN2 (0.46) KDM4EMAPTTSHRSMN1; SMN2HIF1A
SCHEMBL2076032 0.80 EGLN2 (0.40) KDM4EMAPTEGLN2TP53GAA
SCHEMBL19814266 0.78 KDM4E (0.49) KDM4EMAPTEGLN2GAAKMT2A
SCHEMBL21031071 0.77 KDM4E (0.35) KDM4ESMN1; SMN2EGLN2
SCHEMBL29691131 0.75 KDM4E (0.64) KDM4EMAPTKCNN4TSHRSLC2A1
SCHEMBL12693219 0.74 P2RX7 (0.48) SMN1; SMN2
SCHEMBL16822007 0.73 KCNN4 (0.58) KDM4EMAPTKCNN4TSHRSMN1; SMN2
SCHEMBL29691013 0.70 KDM4E (0.58) KDM4EMAPTKCNN4TSHRSLC2A1
SCHEMBL26114212 0.70 KDM4E (0.46) KDM4EMAPTKCNN4TSHRSMN1; SMN2
SCHEMBL2530213 0.69 EGLN2 (0.48) EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 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 (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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KDM4E 913/4885MAPT 3137/4885KCNN4 4769/4885

“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.