SCHEMBL5923376

SCHEMBL5923376

Cc1cc(C)nc(NC(=N)NCCc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.49
▸ PLAAT3 P53816 2/20 0.45
▸ PLAAT5 Q96KN8 2/20 0.45
▸ PLAAT2 Q9NWW9 2/20 0.45
▸ PLAAT4 Q9UL19 2/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ LTA4H P09960 5/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL5923119 0.91 HTT (0.48) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2801059 0.89 ALDH1A1 (0.48) ALDH1A1LMNAKDM4E
SCHEMBL5923299 0.87 EPHX2 (0.46) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923374 0.86 EPHX2 (0.45) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923332 0.85 EPHX2 (0.49) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923285 0.84 EPHX2 (0.46) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923485 0.82 KDM4E (0.58) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923323 0.81 EPHX2 (0.43) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5923253 0.80 RAB9A (0.51) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL5923241 0.78 EPHX2 (0.49) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO claimed
US-20140322160-A1 METHOD AND COMPOSITION FOR ALTERING A B CELL MEDIATED PATHOLOGY MMRGLOBAL, INC. (US) 2014-10-30 — — US disclosed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US disclosed
US-20050238645-A1 Method and composition for altering a B cell mediated pathology FAVRILLE, INC. 2005-10-27 — — US disclosed
WO-2000040606-A2 MODULATION OF HIV REPLICATION USING SAM68 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-13 — — WO disclosed
EP-0586549-A1 SELECTING LIGAND AGONISTS AND ANTAGONISTS GENENTECH, INC. (US) 1994-03-16 — — EP disclosed
WO-1992021029-A1 SELECTING LIGAND AGONISTS AND ANTAGONISTS GENENTECH, INC. (US) 1992-11-26 — — WO 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 (1 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 EPHX2 3096/4885PLAAT3 993/4885PLAAT5 2045/4885

“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.

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