SCHEMBL5116178

SCHEMBL5116178

O=C(NCc1ccc(F)cc1)c1nc(C(NCc2cccnc2)c2ccccc2)nc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
KCNA5 P22460 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5249177 1.00 GAA (0.47) GAASMN1; SMN2HTTLMNAHPGD
SCHEMBL5128170 0.92 KMT2A (0.44) SMN1; SMN2HTTLMNAHPGDL3MBTL1
SCHEMBL5124130 0.91 L3MBTL1 (0.46) GAALMNAL3MBTL1KMT2A
SCHEMBL5118583 0.85 KMT2A (0.44) SMN1; SMN2HTTHPGDALDH1A1MAPK1
SCHEMBL5253468 0.85 HPGD (0.42) SMN1; SMN2HTTLMNAHPGDALDH1A1
SCHEMBL1150998 0.82 GAA (0.47) GAASMN1; SMN2HTTLMNAHPGD
SCHEMBL5118836 0.82 KMT2A (0.52) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL5128022 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MAPK1KMT2A
SCHEMBL5122423 0.80 CCR2 (0.45) GAASMN1; SMN2LMNAHPGDNPSR1
SCHEMBL5123558 0.79 CCR2 (0.46) GAASMN1; SMN2LMNAHPGDNPSR1

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
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP GAA 1940/4885SMN1; SMN2 4143/4885HTT 4733/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP GAA 1962/4885SMN1; SMN2 4190/4885HTT 4695/4885

“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.