SCHEMBL4872173

SCHEMBL4872173

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(-c3cncnc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ATM Q13315 1/20 0.40
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2E1 P05181 3/20 0.38
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
PIM1 P11309 1/20 0.38
SIRT2 Q8IXJ6 4/20 0.36
HPGDS O60760 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
CYP19A1 P11511 4/20 0.35
EPHB4 P54760 1/20 0.33

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
SCHEMBL3825009 0.85 ENPP2 (0.56) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL17688341 0.85 CYP2A6 (0.55) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL2312155 0.83 ENPP2 (0.58) ENPP2CYP11B1CYP11B2SIRT2HPGDS
SCHEMBL4172719 0.83 ENPP2 (0.58) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL17688305 0.82 ENPP2 (0.49) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL17688295 0.82 ENPP2 (0.49) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL24337043 0.81 ENPP2 (0.48) ENPP2CYP11B1CYP11B2PIM1CYP19A1
SCHEMBL17558799 0.79 ENPP2 (0.43) ENPP2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL13514515 0.78 ENPP2 (0.50) ENPP2CYP11B1CYP11B2PIM1SIRT2
SCHEMBL4870306 0.78 ENPP2 (0.53) ENPP2CYP11B1CYP11B2CYP2E1CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD ENPP2 3744/4885CYP11B1 262/4885CYP11B2 376/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL ENPP2 2615/4885CYP11B1 98/4885CYP11B2 117/4885

“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.