SCHEMBL5128635

SCHEMBL5128635

Cc1ccc(-c2nc(O)c(O)c(C(=O)NCc3ccccc3)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
CYP2C19 P33261 3/20 0.44
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ESRRG P62508 1/20 0.44
SCD O00767 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL5125073 0.84 L3MBTL1 (0.45) CYP2C19CDC7CCNE1CDK2DBF4
SCHEMBL5139628 0.82 LMNA (0.63) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL5113449 0.81 HPGDS (0.56) CDC7CCNE1CDK2DBF4
SCHEMBL5130148 0.81 ALDH1A1 (0.54) CYP2C19CYP1A2KMT2AKDM4EMEN1
SCHEMBL5114522 0.81 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL5114937 0.80 HIF1A (0.45) CYP2C19CDC7CCNE1CDK2DBF4
SCHEMBL5113709 0.78 TSHR (0.54) CYP2C19CYP1A2KMT2APOLBCYP2D6
SCHEMBL5129249 0.77 ERCC1 (0.53) KMT2AKDM4EMEN1ALDH1A1PKM
SCHEMBL5125680 0.77 CDC7 (0.46) CDC7CCNE1CDK2DBF4KMT2A
SCHEMBL5121298 0.77 KDM4E (0.51) CDC7CCNE1CDK2DBF4KMT2A

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
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-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 MAOA 1973/4885CYP2C19 821/4885CDC7 181/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP MAOA 1899/4885CYP2C19 807/4885CDC7 200/4885

“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.