SCHEMBL5119552

SCHEMBL5119552

O=C(NCc1ccc(F)cc1)c1nc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)nc(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PRKAA2 P54646 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC4 P56524 1/20 0.48
KCNH2 Q12809 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
PTGER4 P35408 1/20 0.43
CNR2 P34972 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL5118543 0.89 SMN1; SMN2 (0.44) ATMMEN1KMT2AKCNH2NPSR1
SCHEMBL5118888 0.89 CALCA (0.45) ATMMEN1KMT2AKCNH2NPSR1
SCHEMBL5127792 0.89 KMT2A (0.43) ATMMEN1KMT2ANPSR1PTGER4
SCHEMBL5118805 0.88 TP53 (0.46) ATMMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5123305 0.84 ALDH1A1 (0.43) ATMMEN1KMT2AALDH1A1TP53
SCHEMBL5129180 0.83 MAPT (0.54) MEN1KMT2ANPSR1ALDH1A1TP53
SCHEMBL5121585 0.83 HSP90AA1 (0.46) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL5128444 0.80 SLC1A2 (0.39) MEN1KMT2ANPSR1PTGER4
SCHEMBL5129505 0.80 CALCA (0.41) TP53PTGER4
SCHEMBL5128453 0.79 KCNH2 (0.44) KCNH2ALDH1A1TP53PTGER4

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 ATM 3299/4885MEN1 4445/4885KMT2A 914/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ATM 3272/4885MEN1 4519/4885KMT2A 760/4885

“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.