SCHEMBL51840

SCHEMBL51840

Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCN2CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 5/20 0.33
WDR5 P61964 5/20 0.33
P2RX7 Q99572 4/20 0.33
KDM1A O60341 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CHRM4 P08173 2/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL51077 0.89 MYC (0.34) MYCWDR5P2RX7KDM1AMAOA
SCHEMBL52158 0.87 CYP2C9 (0.39) MYCWDR5P2RX7
SCHEMBL52140 0.86 P2RX7 (0.35) P2RX7KDM1AMAOAMAOBTRPV1
SCHEMBL4400787 0.86 P2RX7 (0.35) P2RX7
SCHEMBL4392371 0.85 P2RX7 (0.34) P2RX7TRPV1
SCHEMBL52371 0.84 KDM1A (0.35) P2RX7KDM1AMAOAMAOBTRPV1
SCHEMBL52756 0.83 KDM1A (0.37) P2RX7KDM1AMAOAMAOBTRPV1
SCHEMBL52370 0.83 KDM1A (0.34) P2RX7KDM1AMAOAMAOBTRPV1
SCHEMBL51927 0.83 LMNA (0.46) L3MBTL1CHRM4
SCHEMBL4036158 0.82 P2RX7 (0.33) P2RX7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MYC 2229/4885WDR5 2782/4885P2RX7 3911/4885

“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.