SCHEMBL5117438

SCHEMBL5117438

O=CN1CCCC(c2nc(O)c(O)c(C(=O)NCc3ccccc3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
PREP P48147 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
FKBP1A P62942 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5114853 0.91 KCNH2 (0.46) CALCASMN1; SMN2RAB9AMAPK1ALDH1A1
SCHEMBL5128995 0.86 PDE5A (0.47) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5128087 0.84 JAK2 (0.46) SMN1; SMN2RAB9AMAPK1KMT2ACYP3A4
SCHEMBL5123648 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ALMNATP53GAA
SCHEMBL5127647 0.81 LMNA (0.42) SMN1; SMN2MAPK1KDM4EALDH1A1KMT2A
SCHEMBL5127957 0.80 KCNH2 (0.43) CALCASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL5120385 0.80 ALDH1A1 (0.43) CALCAALDH1A1LMNACYP2C9TP53
SCHEMBL5254588 0.80 JAK3 (0.46) SMN1; SMN2RAB9AALDH1A1KMT2ALMNA
SCHEMBL5254937 0.79 PLAT (0.46) SMN1; SMN2RAB9AALDH1A1KMT2ALMNA
SCHEMBL5128222 0.78 KCNH2 (0.47) CALCASMN1; SMN2MAPK1ALDH1A1KMT2A

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 CALCA 3593/4885SMN1; SMN2 4143/4885RAB9A 3221/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP CALCA 3744/4885SMN1; SMN2 4190/4885RAB9A 3288/4885

“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.