SCHEMBL5123558

SCHEMBL5123558

O=C(NCc1ccc(F)cc1)c1nc(C(NCCN2CCCCC2)c2ccccc2)nc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.46
CALCA P06881 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL5122423 0.99 CCR2 (0.45) CCR2CALCAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5128046 0.92 ALDH1A1 (0.48) CCR2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5127666 0.87 ALDH1A1 (0.51) CCR2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5128170 0.86 KMT2A (0.44) ALDH1A1SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL5256428 0.84 CYP2C19 (0.46) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL5118888 0.83 CALCA (0.45) CALCAALDH1A1SMN1; SMN2KDM4ERECQL
SCHEMBL5124130 0.82 L3MBTL1 (0.46) LMNAGAAPTGER4
SCHEMBL5128022 0.80 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5118583 0.80 KMT2A (0.44) CALCAALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL5116178 0.79 GAA (0.47) ALDH1A1SMN1; SMN2LMNAGAAHPGD

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 CCR2 1819/4885CALCA 3593/4885ALDH1A1 1079/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP CCR2 1664/4885CALCA 3744/4885ALDH1A1 1116/4885

“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.